SCHEMBL18202166

SCHEMBL18202166

COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2c3n(c4ccccc24)CCC3)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.60
MLNR O43193 1/20 0.49
KDM1A O60341 1/20 0.49
ABCB11 O95342 1/20 0.49
ERBB2 P04626 1/20 0.49
INSR P06213 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
DRD2 P14416 1/20 0.49
NQO2 P16083 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
ERBB3 P21860 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADORA2A P29274 1/20 0.49
SLC6A4 P31645 1/20 0.49
CCKAR P32238 1/20 0.49

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
SCHEMBL18202325 0.98 EGFR (0.60) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL18202184 0.96 EGFR (0.56) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL18911701 0.95 EGFR (0.62) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL18202187 0.93 EGFR (0.53) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL18202242 0.91 EGFR (0.51) EGFRKCNH2
SCHEMBL18911618 0.90 EGFR (0.59) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL18202318 0.90 EGFR (0.52) EGFRMLNRKDM1AABCB11ERBB2
SCHEMBL18911706 0.89 EGFR (0.51) EGFRKCNH2
SCHEMBL18911707 0.89 EGFR (0.51) EGFRKCNH2
SCHEMBL18229878 0.89 EGFR (0.75) EGFRMLNRKDM1AABCB11ERBB2

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 15 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
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-2017088746-A1 NEW EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR AND APPLICATION THEREOF 南京圣和药业股份有限公司 2017-06-01 WO 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 1/4885MLNR 1300/4885KDM1A 3812/4885
US-10093656-B2 Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor EGFR, ERBB2, ERBB4 EGFR 1/4885MLNR 1300/4885KDM1A 3812/4885
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR EGFR, ERBB2, ERBB4 EGFR 1/4885MLNR 1300/4885KDM1A 3812/4885

“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.