SCHEMBL18607244

SCHEMBL18607244

CN(C)C1CN(c2cc(OC(F)F)c(Nc3nccc(-c4noc5ccccc45)n3)cc2N)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.49
EGFR P00533 11/20 0.39
ALK Q9UM73 3/20 0.37
MKNK2 Q9HBH9 2/20 0.37
IGF1R P08069 2/20 0.32
KCNH2 Q12809 2/20 0.32
INSR P06213 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
MAP3K12 Q12852 1/20 0.32

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
SCHEMBL18607248 0.93 LCK (0.48) LCKEGFRALKMKNK2IGF1R
SCHEMBL18607249 0.88 LCK (0.48) LCKEGFRALKIGF1RKCNH2
SCHEMBL18607107 0.88 LCK (0.43) LCKEGFRALKMKNK2IGF1R
SCHEMBL18607247 0.88 LCK (0.47) LCKEGFRALK
SCHEMBL18606983 0.87 LCK (0.51) LCKEGFRMKNK2IGF1RKCNH2
SCHEMBL18607246 0.87 LCK (0.47) LCKEGFRALKMKNK2IGF1R
SCHEMBL18607339 0.86 EGFR (0.56) EGFRIGF1RKCNH2INSR
SCHEMBL18606892 0.84 LCK (0.51) LCKEGFRIGF1RKCNH2CCNT1
SCHEMBL18606898 0.83 LCK (0.45) LCKEGFRALKMKNK2
SCHEMBL18606904 0.83 LCK (0.45) LCKEGFRALKMKNK2

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 4 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-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
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 LCK 157/4885EGFR 2/4885ALK 5/4885
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof ERBB2, EGFR, ERBB3 LCK 126/4885EGFR 2/4885ALK 4/4885

“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.