SCHEMBL24602915

SCHEMBL24602915

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 3/20 0.39
▸ GABRD O14764 3/20 0.39
▸ GABRA1 P14867 3/20 0.39
▸ GABRB1 P18505 3/20 0.39
▸ GABRG2 P18507 3/20 0.39
▸ GABRB3 P28472 3/20 0.39
▸ GABRA5 P31644 3/20 0.39
▸ GABRA3 P34903 3/20 0.39
▸ GABRA2 P47869 3/20 0.39
▸ GABRB2 P47870 3/20 0.39
▸ GABRA4 P48169 3/20 0.39
▸ GABRE P78334 3/20 0.39
▸ GABRA6 Q16445 3/20 0.39
▸ GABRG1 Q8N1C3 3/20 0.39
▸ GABRG3 Q99928 3/20 0.39
▸ GABRQ Q9UN88 3/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ UTS2R Q9UKP6 4/20 0.37
▸ EGFR P00533 1/20 0.36
▸ SRC P12931 1/20 0.36

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
SCHEMBL16019531 0.80 CCNB2 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19359605 0.73 CTSV (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9285803 0.72 KDM4E (0.54) EGFRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL19055128 0.71 VDR (0.53) UTS2RALDH1A1HSD17B10GPR3KDM4E
Carbazole SCHEMBL28207965 0.70 ALDH1A1 (0.61) GABRPGABRDGABRA1GABRB1GABRG2
Carbazole SCHEMBL27757289 0.70 ALDH1A1 (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28262029 0.69 ALDH1A1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
Tetradecane SCHEMBL9931701 0.69 ALDH1A1 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
Carbazole SCHEMBL27643881 0.69 ALDH1A1 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13267812 0.68 DRD2 (0.51) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213067-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-07-07 — — 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 (1 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-20220213067-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 GABRP 4742/4885GABRD 4874/4885GABRA1 4800/4885

“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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