SCHEMBL20399573

SCHEMBL20399573

COc1nc(C)cnc1NN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.45
EDNRA P25101 5/20 0.42
ABCB11 O95342 1/20 0.36
KDM4E B2RXH2 3/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 2/20 0.34
GOT1 P17174 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MPO P05164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
MAOA P21397 1/20 0.34
PTGS1 P23219 1/20 0.34
THPO P40225 1/20 0.34
RAB9A P51151 1/20 0.34
AOX1 Q06278 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
SCHEMBL2629270 0.82 CCR4 (0.46) CCR4EDNRAABCB11CYP3A4ALDH1A1
SCHEMBL6642410 0.77 CCR4 (0.45) CCR4EDNRAABCB11ALDH1A1TDP1
SCHEMBL15233567 0.74 CCR4 (0.38) CCR4EDNRAKDM4ETP53SMN1; SMN2
SCHEMBL25763275 0.74 KDM4E (0.34) KDM4EALDH1A1RAB9AMAPTGAA
SCHEMBL20399659 0.74 CCR4 (0.35) CCR4EDNRAHTTRECQL
SCHEMBL30295982 0.74 LMNA (0.36) CCR4EDNRALMNAMAPTHTT
SCHEMBL91464 0.74 LMNA (0.36) CCR4EDNRALMNAMAPTHTT
SCHEMBL31538061 0.73 CCR4 (0.37) CCR4EDNRATP53SMN1; SMN2ALDH1A1
SCHEMBL4497174 0.73 CCR4 (0.37) CCR4EDNRATP53SMN1; SMN2ALDH1A1
SCHEMBL4634255 0.71 KDM4E (0.39) KDM4ETP53CYP3A4GOT1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571199-B1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2026-04-22 EP disclosed
US-20260103469-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS REVOLUTION MEDICINES INC (US) 2026-04-16 US disclosed
US-12365688-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2025-07-22 US disclosed
US-20240199616-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-06-20 US disclosed
CN-117327075-A Bicyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2024-01-02 CN disclosed
CN-110446709-B Bicyclic compounds as allosteric SHP2 inhibitors 锐新医药公司 2023-09-12 CN disclosed
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
WO-2018136265-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-07-26 WO disclosed
WO-2018136265-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS Revolution Medicines, Inc. (US) 2018-07-26 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 (4 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-20240199616-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN18, PTPN1, PTPN2 CCR4 1270/4885EDNRA 1909/4885ABCB11 3732/4885
US-12365688-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN1 CCR4 1577/4885EDNRA 2332/4885ABCB11 3586/4885
US-20260103469-A1 BICYCLIC COMPOUNDS AS ALLOSTERIC SHP2 INHIBITORS PTPN5, PTPN6, PTPN1 CCR4 474/4885EDNRA 596/4885ABCB11 2510/4885
US-11739093-B2 Substituted pyrazolopyrazines, imidazopyrazines and [1,2,4]triazolopyrazines as allosteric SHP2 inhibitors PTPN5, PTPN2, PTPN4 CCR4 1106/4885EDNRA 2653/4885ABCB11 3574/4885

“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.