SCHEMBL20162224

SCHEMBL20162224

Nc1cccc(-c2ccnc(Cl)n2)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.39
▸ DYRK1A Q13627 5/20 0.38
▸ KMO O15229 2/20 0.36
▸ CDK5 Q00535 6/20 0.34
▸ CDK5R1 Q15078 6/20 0.34
▸ CCNT1 O60563 3/20 0.34
▸ CCNA2 P20248 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ CDK9 P50750 3/20 0.34
▸ CCNA1 P78396 3/20 0.34
▸ PRKACA P17612 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ GSK3B P49841 4/20 0.33
▸ CLK1 P49759 3/20 0.33
▸ MAP3K14 Q99558 2/20 0.33
▸ PDPK1 O15530 2/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33

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
SCHEMBL31380425 0.86 ALDH1A1 (0.43) NR4A2DYRK1ACDK5CDK5R1CCNT1
SCHEMBL24885807 0.77 MAP4K4 (0.42) DYRK1ACDK5CDK5R1CCNT1CCNA2
SCHEMBL16739820 0.77 JAK2 (0.40) HSP90AA1ADORA2AALDH1A1CD44L3MBTL1
SCHEMBL3334777 0.75 RPS6KA5 (0.44) NR4A2ADORA2AALDH1A1KDM4ELMNA
SCHEMBL447060 0.74 CYP19A1 (0.47) DYRK1AKMOHSP90AA1ALDH1A1HPGD
SCHEMBL18662633 0.74 DYRK1A (0.64) DYRK1ACDK5CDK5R1CCNT1CCNA2
SCHEMBL31452201 0.74 MAPT (0.43) DYRK1ACDK5CDK5R1CCNT1CCNA2
SCHEMBL5786593 0.74 MAPT (0.43) DYRK1ACDK5CDK5R1CCNT1CCNA2
SCHEMBL22807535 0.73 HTR7 (0.37) DYRK1ACDK5CDK5R1CCNT1CCNA2
SCHEMBL446754 0.73 NPC1 (0.41) KMOHSP90AA1KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 — — EP disclosed
CN-118139847-A Pyrimidine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-06-04 — — CN disclosed
CN-109311852-B Crystal of anilinopyrimidine compounds as EGFR inhibitors 正大天晴药业集团股份有限公司 2021-04-02 — — CN disclosed
US-20200361908-A1 CRYSTALS OF ANILINE PYRIMIDINE COMPOUND SERVING AS EGFR INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2020-11-19 — — US disclosed
US-20190256497-A1 CRYSTALS OF ANILINE PYRIMIDINE COMPOUND SERVING AS EGFR INHIBITOR LIANYUNGANG RUNZHONG PHARMACEUTICAL CO., LTD. (CN) 2019-08-22 — — 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
EP-3476841-A1 CRYSTALS OF ANILINE PYRIMIDINE COMPOUND SERVING AS EGFR INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-01 — — EP 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 (4 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-20200361908-A1 CRYSTALS OF ANILINE PYRIMIDINE COMPOUND SERVING AS EGFR INHIBITOR EGFR, ERBB2, ERBB3 NR4A2 2485/4885DYRK1A 185/4885KMO 2027/4885
US-20180208581-A1 ANILINE PYRIMIDINE DERIVATIVES AND USES THEREOF EGFR, ERBB2, ERBB3 NR4A2 2683/4885DYRK1A 225/4885KMO 2469/4885
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 NR4A2 993/4885DYRK1A 389/4885KMO 3214/4885
US-20190256497-A1 CRYSTALS OF ANILINE PYRIMIDINE COMPOUND SERVING AS EGFR INHIBITOR EGFR, ERBB2, ERBB3 NR4A2 2485/4885DYRK1A 185/4885KMO 2027/4885

“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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