SCHEMBL18202145

SCHEMBL18202145

COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(F)c(-c2c3n(c4ccccc24)CCOC3)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.51
LRRK2 Q5S007 6/20 0.40
GSK3A P49840 1/20 0.40
MAPK15 Q8TD08 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
MKNK2 Q9HBH9 1/20 0.37
IGF1R P08069 4/20 0.37
KCNH2 Q12809 3/20 0.36
CDK2 P24941 2/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCND1 P24385 1/20 0.36
CCNC P24863 1/20 0.36
CCNE1 P24864 1/20 0.36
CCND3 P30281 1/20 0.36
CDK8 P49336 1/20 0.36

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
SCHEMBL18239605 0.94 EGFR (0.59) EGFRLRRK2CAMKK2MKNK2IGF1R
SCHEMBL18239602 0.93 EGFR (0.48) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL18202345 0.92 EGFR (0.43) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL18202343 0.91 EGFR (0.45) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL19921295 0.91 EGFR (0.42) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL18202259 0.90 EGFR (0.42) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL18202149 0.89 EGFR (0.64) EGFRIGF1RKCNH2
SCHEMBL18202243 0.88 EGFR (0.58) EGFRCCNT1CDK9MKNK2
SCHEMBL18202150 0.88 EGFR (0.56) EGFRIGF1RKCNH2
SCHEMBL18202301 0.87 EGFR (0.53) EGFRLRRK2GSK3AMAPK15CAMKK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-12-13 US disclosed
US-10093656-B2 Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor NANJING SANHOME PHARMACEUTICAL CO., LTD (CN) 2018-10-09 US disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 EP disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 EP disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
EP-3290419-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-07 EP disclosed
WO-2016173438-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR 南京明德新药研发股份有限公司 2016-11-03 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 (3 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 EGFR 1/4885LRRK2 256/4885GSK3A 2170/4885
US-10093656-B2 Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor EGFR, ERBB2, ERBB4 EGFR 1/4885LRRK2 256/4885GSK3A 2170/4885
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR EGFR, ERBB2, ERBB4 EGFR 1/4885LRRK2 256/4885GSK3A 2170/4885

“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.