SCHEMBL18607152

SCHEMBL18607152

COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2c(C)n(C)c3sc(C)cc23)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 9/20 0.45
EGFR P00533 5/20 0.40
CCNT1 O60563 4/20 0.37
CDK9 P50750 4/20 0.37
MKNK1 Q9BUB5 4/20 0.36
FLT3 P36888 3/20 0.36
CDK4 P11802 2/20 0.35
CDK2 P24941 2/20 0.35

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
SCHEMBL17822328 0.86 EGFR (0.47) MKNK2EGFRCCNT1CDK9MKNK1
SCHEMBL30883808 0.86 EGFR (0.47) MKNK2EGFRCCNT1CDK9MKNK1
SCHEMBL30883810 0.86 EGFR (0.47) MKNK2EGFRCCNT1CDK9MKNK1
SCHEMBL18607276 0.85 EGFR (0.52) EGFR
SCHEMBL18607148 0.80 MKNK2 (0.46) MKNK2EGFRCCNT1CDK9MKNK1
SCHEMBL19114738 0.77 EGFR (0.57) MKNK2EGFRCCNT1CDK9MKNK1
SCHEMBL17384791 0.77 EGFR (0.56) MKNK2EGFRCCNT1CDK9MKNK1
SCHEMBL14660649 0.77 EIF2AK2 (0.57) MKNK2EGFRMKNK1FLT3CDK4
SCHEMBL17059241 0.76 EGFR (0.51) EGFRCCNT1CDK9MKNK1CDK2
SCHEMBL30883829 0.76 EGFR (0.44) MKNK2EGFRCCNT1CDK9MKNK1

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
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2019-08-13 US disclosed
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2019-08-13 US disclosed
US-20180208585-A1 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2018-07-26 US disclosed
US-20180208585-A1 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2018-07-26 US disclosed
US-20180208585-A1 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2018-07-26 US disclosed
EP-3345906-A1 2-ARYLAMINO PYRIDINE, PYRIDINE OR TRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Wuxi Shuangliang Biotechnology Co., Ltd. (CN) 2018-07-11 EP disclosed
WO-2017035753-A1 2-ARYLAMINO PYRIDINE, PYRIDINE OR TRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 无锡双良生物科技有限公司 2017-03-09 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-20180208585-A1 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ERBB2, EGFR, ERBB3 MKNK2 1885/4885EGFR 2/4885CCNT1 2956/4885
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof ERBB2, EGFR, ERBB3 MKNK2 1906/4885EGFR 2/4885CCNT1 3408/4885

“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.