SCHEMBL3308271

SCHEMBL3308271

CC1(C)OB(c2ccc3nccnc3c2Cl)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
EGFR P00533 4/20 0.32
LPL P06858 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL26921895 0.83 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL15158988 0.79 LPL (0.37) LPLLIPG
SCHEMBL15230780 0.78 MAPT (0.41) EGFRLPLLIPG
SCHEMBL26921621 0.77 ALDH1A1 (0.37)
SCHEMBL21653672 0.76 PTPN11 (0.34)
SCHEMBL21631467 0.76 PTPN11 (0.38) EGFR
SCHEMBL29467494 0.76 PTPN11 (0.34)
SCHEMBL21653799 0.76 JAK2 (0.30)
SCHEMBL20894750 0.73 LPL (0.33) EGFRLPLLIPG
SCHEMBL29537987 0.73 LPL (0.33) EGFRLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2024-03-28 US disclosed
CN-111433205-B Polycyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2024-01-19 CN disclosed
EP-3724189-B1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2023-10-04 EP disclosed
US-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-06-13 US disclosed
US-11634435-B2 2023-04-25 US disclosed
US-20200407372-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. 2020-12-31 US disclosed
EP-3724189-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2020-10-21 EP disclosed
CN-111433205-A Polycyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2020-07-17 CN disclosed
WO-2019118909-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2019-06-20 WO disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (5 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-11673901-B2 Polycyclic compounds as allosteric SHP2 inhibitors PTPN18, PTPN1, PTPRJ ADRA2A 4681/4885ADRA2B 4598/4885ADRA2C 4530/4885
US-20240101577-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ ADRA2A 4681/4885ADRA2B 4598/4885ADRA2C 4530/4885
US-11634435-B2 PTPN18, PTPN6, PTPN5 ADRA2A 4598/4885ADRA2B 4432/4885ADRA2C 4543/4885
US-20200407372-A1 POLYCYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPRJ ADRA2A 4681/4885ADRA2B 4598/4885ADRA2C 4530/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT ADRA2A 1144/4885ADRA2B 579/4885ADRA2C 403/4885

“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.