SCHEMBL25001571

SCHEMBL25001571

COc1cc(N2CCN(C)CC2)c(-c2cnn(C)c2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.45
MELK Q14680 1/20 0.43
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
TTK P33981 1/20 0.40
RET P07949 1/20 0.40
FYN P06241 3/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
PTK2 Q05397 1/20 0.39
CREBBP Q92793 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL30236630 1.00 EGFR (0.45) EGFRMELKDRD2DRD3TTK
SCHEMBL25002878 0.90 EGFR (0.39) EGFRMELKDRD2TTKRET
SCHEMBL22950893 0.89 EGFR (0.51) EGFRPTK2
SCHEMBL29757784 0.89 EGFR (0.51) EGFRPTK2
SCHEMBL23759769 0.89 EGFR (0.48) EGFRMELKTTKRETPTK2
SCHEMBL28959684 0.89 PIK3CD (0.38) EGFRTTKFYNCREBBPPIK3CD
SCHEMBL24755071 0.88 RET (0.41) EGFRDRD2RETPIK3CD
SCHEMBL25821880 0.88 RET (0.41) EGFRRETFYNCREBBPPIK3CD
SCHEMBL22950921 0.88 EGFR (0.47) EGFRTTKRETFYNCREBBP
SCHEMBL25002476 0.87 PIK3CD (0.39) EGFRTTKCREBBPPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360102-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2024-10-31 US disclosed
EP-4382520-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2024-06-12 EP disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
WO-2023011299-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
WO-2023011299-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF 上海和誉生物医药科技有限公司 2023-02-09 WO disclosed
EP-4129996-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-08 EP 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 (2 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 EGFR 1/4885MELK 1148/4885DRD2 3661/4885
US-20240360102-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVE, A PREPARATION METHOD THEREFOR, AND A PHARMACEUTICAL APPLICATION THEREOF WEE1, WEE2, EGFR EGFR 3/4885MELK 2648/4885DRD2 3228/4885

“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.