SCHEMBL4769982

SCHEMBL4769982

C1=Nc2cccnc2CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.33
TBXAS1 P24557 3/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDM4E B2RXH2 2/20 0.30
MAPT P10636 2/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MMP2 P08253 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MMP8 P22894 1/20 0.30
CCR1 P32246 1/20 0.30
THPO P40225 1/20 0.30

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
SCHEMBL2439123 0.77
SCHEMBL31001732 0.77
Benzene SCHEMBL28857433 0.76 PDE3B (0.34) PDE3BPDE3AKDM4EMAPTGMNN
Hydrochloric Acid SCHEMBL28075122 0.76 PDE3B (0.34) PDE3BPDE3AKDM4EMAPTGMNN
Hydrochloric Acid SCHEMBL28108450 0.74 PDE3B (0.33) PDE3BPDE3AKDM4EMAPTGMNN
SCHEMBL2120995 0.71
SCHEMBL2253282 0.69 MAPT (0.48) KDM4EMAPTLMNAHSP90AA1CYP3A4
SCHEMBL497374 0.68 NOS3 (0.43) MAPTLMNACYP3A4TSHRSMN1; SMN2
SCHEMBL29369520 0.68 NOS3 (0.43) MAPTLMNACYP3A4TSHRSMN1; SMN2
SCHEMBL6397093 0.68

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602823-A As deubiquitinating enzymes(DUB)The spiral shell of inhibitor-condensation pyrrolidin derivatives 特殊治疗有限公司 2018-09-28 CN claimed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 CN claimed
CN-116478130-B N-hydroxyquinoline carboxamide compounds and uses thereof 深圳默元生物科技有限公司 2025-05-30 CN disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
EP-3630770-B1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
US-20240122925-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME RELAY THERAPEUTICS, INC. 2024-04-18 US disclosed
CN-114539286-B Piperazine derivatives and their use in medicine 成都百裕制药股份有限公司 2024-02-02 CN disclosed
CN-112166110-B SHP2 phosphatase inhibitors and methods of use thereof 传达治疗有限公司 2023-08-11 CN disclosed
CN-114539286-A Piperazine derivatives and their use in medicine 成都百裕制药股份有限公司 2022-05-27 CN disclosed
CN-108602823-A As deubiquitinating enzymes(DUB)The spiral shell of inhibitor-condensation pyrrolidin derivatives 特殊治疗有限公司 2018-09-28 CN disclosed
CN-105025899-B Having a2AHeterobicyclically substituted- [1,2,4 ] antagonists]Triazolo [1,5-c]Quinazoline-5-amine compounds 默沙东公司 2017-08-18 CN disclosed
EP-1761515-B1 2-(HETERO-)ARYL SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-11-05 EP disclosed
CN-1067686-C Fused polycyclic heterocycle derivatives EISAI CO LTD (JP) 2001-06-27 CN disclosed
CN-1185781-A Fused Polycyclic Heterocyclic Derivatives EISAI CO LTD (JP) 1998-06-24 CN 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 (1 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-20240122925-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME PTPN1, PTPN18, PTPN5 CYP19A1 4471/4885TBXAS1 2365/4885PDE3B 1608/4885

“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.