SCHEMBL16019531

SCHEMBL16019531

CC(C)c1c(C#N)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49
▸ KIF11 P52732 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GPR3 P46089 1/20 0.45
▸ VDR P11473 1/20 0.44
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42

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
SCHEMBL24602915 0.80 GABRP (0.39) CCNB2CDK1CCNB1CCNB3KIF11
SCHEMBL3680016 0.76 AHR (0.55) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL10280325 0.75 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3KIF11
SCHEMBL30234429 0.75 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3KIF11
SCHEMBL8997990 0.73 VDR (0.67) CCNB2CDK1CCNB1CCNB3KIF11
SCHEMBL29635217 0.73 PDE9A (0.49) ALDH1A1HSD17B10GPR3GABRPGABRD
SCHEMBL2464667 0.73 PDE9A (0.49) ALDH1A1HSD17B10GPR3GABRPGABRD
SCHEMBL13267812 0.73 DRD2 (0.51) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL14365065 0.73 CCNB2 (0.50) CCNB2CDK1CCNB1CCNB3KIF11
SCHEMBL23429368 0.72 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 — — US disclosed
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 — — US disclosed
US-20220213067-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-07-07 — — US disclosed
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-19 — — US disclosed
US-20210317105-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 — — US disclosed
US-20200361906-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-19 — — US disclosed
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 — — US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 — — US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 — — US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 — — US disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 — — US 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 (8 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-20210317105-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 CCNB2 18/4885CDK1 2/4885CCNB1 33/4885
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 CCNB2 1794/4885CDK1 1509/4885CCNB1 1586/4885
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 CCNB2 18/4885CDK1 2/4885CCNB1 33/4885
US-11306070-B2 Inhibitors of cyclin-dependent kinase 12 (CDK12) and uses thereof CDK12, CDK1, CDK13 CCNB2 18/4885CDK1 2/4885CCNB1 33/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 CCNB2 1794/4885CDK1 1509/4885CCNB1 1586/4885
US-20200361906-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 CCNB2 18/4885CDK1 2/4885CCNB1 33/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 CCNB2 1794/4885CDK1 1509/4885CCNB1 1586/4885
US-20220213067-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 CCNB2 18/4885CDK1 2/4885CCNB1 33/4885

“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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