SCHEMBL18607255

SCHEMBL18607255

CN1CCN(c2cc(OC(F)F)c(Nc3nccc(-c4cn(C)c5cccnc45)n3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.48
CDK2 P24941 5/20 0.44
IGF1R P08069 3/20 0.44
DYRK1B Q9Y463 2/20 0.44
DYRK3 O43781 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DYRK2 Q92630 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK4 Q9NR20 1/20 0.44
CCNA2 P20248 2/20 0.42
CCNA1 P78396 2/20 0.42
MKNK2 Q9HBH9 1/20 0.41
CCNE1 P24864 1/20 0.41
FLT3 P36888 1/20 0.41
PIM1 P11309 2/20 0.40
CDK4 P11802 2/20 0.40

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
SCHEMBL17683307 0.91 EGFR (0.59) EGFRCDK2IGF1RDYRK1BDYRK3
SCHEMBL30459692 0.91 EGFR (0.59) EGFRCDK2IGF1RDYRK1BDYRK3
SCHEMBL18607347 0.91 EGFR (0.58) EGFRCDK2IGF1RDYRK1BDYRK3
SCHEMBL18606908 0.90 EGFR (0.48) EGFRMKNK2
SCHEMBL18607113 0.89 EGFR (0.44) EGFRMKNK2
SCHEMBL18606910 0.88 EGFR (0.39) EGFRCDK2IGF1RDYRK1BDYRK3
SCHEMBL18607262 0.87 EGFR (0.49) EGFRCDK2IGF1RDYRK1BDYRK3
SCHEMBL18607012 0.87 EGFR (0.45) EGFRMKNK2FLT3
SCHEMBL18607060 0.83 EGFR (0.44) EGFRMKNK2KCNH2
SCHEMBL18607062 0.83 EGFR (0.44) EGFRMKNK2KCNH2

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 EGFR 2/4885CDK2 247/4885IGF1R 540/4885
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof ERBB2, EGFR, ERBB3 EGFR 2/4885CDK2 346/4885IGF1R 538/4885

“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.