SCHEMBL20162217

SCHEMBL20162217

O=c1[nH]c2cc(Cl)ccc2n1-c1ccnc(Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ AURKA O14965 2/20 0.41
▸ HAVCR2 Q8TDQ0 2/20 0.41
▸ CA9 Q16790 3/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ RET P07949 1/20 0.39
▸ MET P08581 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ PIM1 P11309 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
SCHEMBL20162226 0.87 AURKA (0.45) MEN1LMNAKMT2AL3MBTL1AURKA
SCHEMBL18386901 0.87 GABRP (0.50) MEN1LMNAKMT2AL3MBTL1AURKA
SCHEMBL18386905 0.87 DAO (0.47) MEN1LMNAKMT2AL3MBTL1AURKA
SCHEMBL18386767 0.83 CDK5 (0.51) LMNAAURKADAOKDM4E
SCHEMBL20162205 0.73 MAP3K14 (0.42) LMNAL3MBTL1KDM4EHTTMAT2A
SCHEMBL28738835 0.71 MEN1 (1.00) MEN1LMNAKMT2AL3MBTL1AURKA
SCHEMBL28113924 0.69 CYP1A2 (0.38) LMNAL3MBTL1KDM4EHTTMAT2A
SCHEMBL20357916 0.69 MAT2A (0.44) MAT2A
SCHEMBL5631019 0.69 HSP90AA1 (0.60) MEN1LMNAKMT2AL3MBTL1CA9
SCHEMBL15599478 0.67 LMNA (0.53) MEN1LMNAKMT2AL3MBTL1HAVCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323817-B1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-10-19 — — EP disclosed
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-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
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2018-07-26 — — 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 MEN1 4585/4885LMNA 4472/4885KMT2A 3958/4885
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 MEN1 4514/4885LMNA 4407/4885KMT2A 3572/4885

“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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