SCHEMBL20437695

SCHEMBL20437695

CC1(C)c2c(ccc3c2[nH]c2ccccc23)-c2cccc3cccc1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.45
BCHE P06276 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
PARP14 Q460N5 8/20 0.39
PGR P06401 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
SCHEMBL29819516 0.88 KIF11 (0.47) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL1707718 0.88 KIF11 (0.47) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL15434247 0.85 KIF11 (0.45) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL17299583 0.84 KIF11 (0.45) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL20437834 0.83 PARP1 (0.43) BCHEGABRPGABRDGABRA1GABRB1
SCHEMBL20437697 0.82 KIF11 (0.43) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL19383173 0.81 KIF11 (0.58) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL24519188 0.79 KIF11 (0.53) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL16940920 0.78 KIF11 (0.44) KIF11BCHEGABRPGABRDGABRA1
SCHEMBL19382779 0.78 CDK4 (0.45) KIF11BCHEGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10964894-B2 Carbazole derivatives MERCK PATENT GMBH (DE) 2021-03-30 US disclosed
US-20190348616-A1 CARBAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2019-11-14 US disclosed
WO-2018138039-A1 CARBAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2018-08-02 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 (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-20190348616-A1 CARBAZOLE DERIVATIVES CYP2E1, CYP3A4, CYP2C19 KIF11 2810/4885BCHE 1030/4885GABRP 2077/4885
US-10964894-B2 Carbazole derivatives CYP2E1, CYP3A4, CYP2C19 KIF11 2810/4885BCHE 1030/4885GABRP 2077/4885

“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.