SCHEMBL18346338

SCHEMBL18346338

Nc1ccc(C(=O)Nc2cccc(Nc3nc(-c4cnc5[nH]ccc5c4)c4sccc4n3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 4/20 0.50
▸ CCNH P51946 3/20 0.50
▸ ABL1 P00519 3/20 0.47
▸ BCR P11274 2/20 0.47
▸ ABL2 P42684 1/20 0.47
▸ PIP4K2A P48426 2/20 0.43
▸ PIP4K2B P78356 2/20 0.43
▸ PIKFYVE Q9Y2I7 3/20 0.42
▸ CDK8 P49336 7/20 0.42
▸ PDGFRB P09619 3/20 0.40
▸ KDR P35968 2/20 0.40
▸ PDGFRA P16234 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ CDK6 Q00534 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ DCLK1 O15075 1/20 0.40

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
SCHEMBL18346365 0.89 CDK7 (0.55) CDK7CCNHPIP4K2APIP4K2BPIKFYVE
SCHEMBL20228983 0.85 MAP3K5 (0.42) CDK7CCNHABL1BCRCDK8
SCHEMBL20225382 0.84 CDK7 (0.75) CDK7CCNHPIP4K2APIP4K2BCCNT1
SCHEMBL18346280 0.79 ABL1 (0.41) ABL1BCRABL2PIKFYVEPDGFRB
SCHEMBL20225394 0.78 CDK7 (0.46) CDK7CCNHPIP4K2APIP4K2BCDK8
SCHEMBL18346366 0.74 EGFR (0.55) CDK7CCNHPIP4K2APIP4K2BCDK8
SCHEMBL20211532 0.73 CDK7 (0.63) CDK7CCNHPIP4K2APIP4K2BCCNT1
SCHEMBL20211533 0.73 CDK7 (0.63) CDK7CCNHPIP4K2APIP4K2BCCNT1
SCHEMBL18346372 0.73 CDK7 (0.53) CDK7CCNHPIP4K2APIP4K2BCCNT1
SCHEMBL20225392 0.73 CDK7 (0.52) CDK7CCNHABL1BCRABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-07-09 — — US disclosed
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-07-09 — — US disclosed
US-20180369243-A9 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-27 — — US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
EP-3313529-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2018-05-02 — — EP disclosed
WO-2016210291-A1 FUSED BICYCLIC PYRIMIDINE 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 (3 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-20180369243-A9 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885ABL1 590/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885ABL1 590/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 CDK7 5/4885CCNH 65/4885ABL1 590/4885

“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.

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