SCHEMBL18320494

SCHEMBL18320494

COC(=O)CCSc1ccnc(N)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
PRNP P04156 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 1/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30660933 1.00 KMT2A (0.43) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL21919495 0.87 KDM4E (0.42) KMT2APOLBALDH1A1MEN1RAB9A
SCHEMBL18319841 0.86 KMT2A (0.45) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL29506060 0.86 KMT2A (0.45) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL29603922 0.85 KMT2A (0.44) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL21852192 0.85 GSTP1 (0.42) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL18320486 0.85 KMT2A (0.44) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL19785098 0.84 KMT2A (0.43) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL21855915 0.84 CXCR1 (0.42) KMT2APRNPPOLBRXFP1GSTP1
SCHEMBL29506185 0.84 CXCR1 (0.42) KMT2APRNPPOLBRXFP1GSTP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441743-B2 Spiro aromatic ring compound and use thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2025-10-14 US disclosed
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2025-06-17 US disclosed
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2025-02-27 US disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
US-12187721-B2 Protein tyrosine phosphatase inhibitors ARRAY BIOPHARMA INC. (US) 2025-01-07 US disclosed
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2024-09-10 US disclosed
WO-2024175081-A1 SHP2 INHIBITOR COMPOUND AND USE THEREOF 深圳真实生物医药科技有限公司 2024-08-29 WO disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20240239799-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2024-07-18 US disclosed
CN-111566104-B Spiro aromatic ring compound and application thereof 上海奕拓医药科技有限责任公司 2024-05-17 CN disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
WO-2019183367-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-06-04 US disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 US disclosed
US-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-09-06 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 US disclosed
EP-3310774-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2018-04-25 EP disclosed
EP-3310771-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2018-04-25 EP disclosed
WO-2016203405-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2016203406-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN3, PTPN1, PTPN2 KMT2A 767/4885PRNP 2330/4885POLB 3760/4885
US-20250066357-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS PPM1A, PPM1F, PPP5C KMT2A 2301/4885PRNP 1569/4885POLB 2558/4885
US-12187721-B2 Protein tyrosine phosphatase inhibitors PPM1A, PTP4A1, PPP5C KMT2A 2176/4885PRNP 1539/4885POLB 2528/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 KMT2A 742/4885PRNP 2543/4885POLB 3989/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 KMT2A 767/4885PRNP 2330/4885POLB 3760/4885
US-12084447-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 KMT2A 1505/4885PRNP 3425/4885POLB 3791/4885
US-12441743-B2 Spiro aromatic ring compound and use thereof PTPN1, PTPN11, PTPN5 KMT2A 2455/4885PRNP 2999/4885POLB 4662/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 KMT2A 736/4885PRNP 2518/4885POLB 4020/4885
US-12331056-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPN22, PTPN1 KMT2A 1505/4885PRNP 3425/4885POLB 3791/4885
US-20240239799-A1 (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER PTPN1, PTPN5, PTPRJ KMT2A 1626/4885PRNP 4781/4885POLB 3864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.