SCHEMBL17646039

SCHEMBL17646039

COc1cccc(-c2nc3c(-c4ccc(CN)c(F)c4)ccnc3[nH]2)c1.COc1cccc(-c2nc3c(-c4ccc(CN)c(F)c4)ccnc3[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAT2 Q10469 1/20 0.47
▸ DHODH Q02127 1/20 0.42
▸ RPS6KA3 P51812 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CCNB2 O95067 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ BTK Q06187 2/20 0.40
▸ DGAT2 Q96PD7 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL17646013 1.00 MGAT2 (0.47) MGAT2DHODHRPS6KA3AURKACCNB2
SCHEMBL17660348 0.91 DHODH (0.45) DHODHRPS6KA3AURKACCNB2CDK1
SCHEMBL17646003 0.90 MAPK14 (0.42) RPS6KA3AURKACCNB2CDK1CCNB1
SCHEMBL17645984 0.90 MAPK14 (0.42) RPS6KA3AURKACCNB2CDK1CCNB1
SCHEMBL17660360 0.87 BTK (0.47) MGAT2DHODHCCNB2CDK1CCNB1
SCHEMBL17660349 0.86 BTK (0.44) BTKMAPK14
SCHEMBL17645780 0.84 BTK (0.42) MGAT2RPS6KA3CCNB2CDK1CCNB1
SCHEMBL17645759 0.83 BTK (0.50) AURKACCNB2CDK1CCNB1GSK3A
SCHEMBL17664641 0.82 BTK (0.46) DHODHBTKDGAT2
SCHEMBL17660347 0.81 BTK (0.43) RPS6KA3AURKACCNB2CDK1CCNB1

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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — 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 (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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN MGAT2 3278/4885DHODH 1643/4885RPS6KA3 474/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN MGAT2 3103/4885DHODH 1894/4885RPS6KA3 469/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN MGAT2 3278/4885DHODH 1643/4885RPS6KA3 474/4885

“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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