SCHEMBL18340685

SCHEMBL18340685

COc1ccc(Oc2cc(Nc3cccc(NC(=O)c4ccc(N)cc4)c3)ncn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.48
ERBB3 P21860 3/20 0.48
KCNK9 Q9NPC2 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
KDR P35968 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAPK14 Q16539 1/20 0.44
GRM5 P41594 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43

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
SCHEMBL18340742 0.88 MEN1 (0.55) EGFRERBB3KCNK9KMT2AMEN1
SCHEMBL20093425 0.83 MEN1 (0.48) EGFRERBB3KMT2AMEN1KDR
SCHEMBL18340683 0.82 PIP4K2A (0.67) EGFRPIP4K2C
SCHEMBL18340682 0.82 PIP4K2A (0.67) EGFRPIP4K2C
SCHEMBL4935146 0.76 MEN1 (0.64) EGFRERBB3KMT2AMEN1KDR
SCHEMBL3182550 0.71 MEN1 (0.66) EGFRERBB3KMT2AMEN1MAPT
SCHEMBL18340684 0.71 ABL1 (0.56) KCNK9KDRCYP1A2MAPTCYP2C9
SCHEMBL1896051 0.71 MEN1 (0.55) EGFRKMT2AMEN1KDRCYP1A2
SCHEMBL4109084 0.70 ABL1 (0.64) EGFRERBB3KMT2AMEN1NPC1
SCHEMBL14540942 0.70 KDR (0.56) KMT2AKDRCYP2C19MAPK14TNNI3K

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
EP-3313530-B1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2022-10-05 EP disclosed
US-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 US disclosed
US-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 US disclosed
US-20200338075-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-20200338075-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-30 US disclosed
US-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-30 US disclosed
US-20180344733-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-06 US disclosed
EP-3313530-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2018-05-02 EP disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 US disclosed
WO-2016210296-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-29 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-20200338075-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDK3, CDK1, CDK14 EGFR 2020/4885ERBB3 747/4885KCNK9 894/4885
US-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof CDK3, CDK1, CDK14 EGFR 2020/4885ERBB3 747/4885KCNK9 894/4885
US-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDK3, CDK1, CDK14 EGFR 2020/4885ERBB3 747/4885KCNK9 894/4885
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A EGFR 2153/4885ERBB3 1046/4885KCNK9 730/4885
US-20180344733-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A EGFR 2153/4885ERBB3 1046/4885KCNK9 730/4885

“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.