SCHEMBL20162223

SCHEMBL20162223

Nc1ccc(F)c(-c2nc(Cl)ncc2Cl)c1N

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BTK Q06187 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CLK4 Q9HAZ1 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL2134783 0.78 ALDH1A1 (0.39) RPS6KA5KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3334777 0.71 RPS6KA5 (0.44) RPS6KA5KDM4EALDH1A1LMNAGLA
SCHEMBL1222435 0.70 SMN1; SMN2 (0.33) KDM4EALDH1A1LMNAGLAHPGD
SCHEMBL25551878 0.69 RPS6KA5 (0.49) RPS6KA5BTKMAPT
SCHEMBL16116200 0.69 CSNK1A1 (0.33) ALDH1A1SMN1; SMN2CSNK1A1CLK4MAPT
SCHEMBL29190539 0.69 ALDH1A1 (0.36) RPS6KA5KDM4EALDH1A1LMNAGLA
SCHEMBL30936977 0.67 RPS6KA5 (0.36) RPS6KA5KDM4EALDH1A1LMNAHPGD
SCHEMBL30036735 0.67 RPS6KA5 (0.47) RPS6KA5MAPT
SCHEMBL25551811 0.67 RPS6KA5 (0.47) RPS6KA5MAPT
SCHEMBL29190624 0.67 BTK (0.33) KDM4EALDH1A1LMNAGLAHPGD

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-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2019-06-25 — — US disclosed
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 — — US disclosed
EP-3323817-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2018-05-23 — — EP 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-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF EGFR, ERBB2, ERBB3 RPS6KA5 620/4885KDM4E 4245/4885ALDH1A1 1216/4885
US-10329277-B2 N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(3-methyl-2-OXO-2,3-dihydro-1h-benzo[d]imidazol-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide hydrochloride as an inhibitor of epidermal growth factor receptor activity EGFR, ERBB2, ERBB3 RPS6KA5 409/4885KDM4E 3524/4885ALDH1A1 1263/4885

“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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