SCHEMBL17553693

SCHEMBL17553693

C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CC)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.91
KCNH2 Q12809 2/20 0.84
MLNR O43193 1/20 0.84
KDM1A O60341 1/20 0.84
ABCB11 O95342 1/20 0.84
ERBB2 P04626 1/20 0.84
INSR P06213 1/20 0.84
CHRM2 P08172 1/20 0.84
HTR1A P08908 1/20 0.84
ADORA3 P0DMS8 1/20 0.84
DRD2 P14416 1/20 0.84
NQO2 P16083 1/20 0.84
ADRA2C P18825 1/20 0.84
DRD1 P21728 1/20 0.84
ERBB3 P21860 1/20 0.84
SLC6A2 P23975 1/20 0.84
HTR2A P28223 1/20 0.84
HTR2C P28335 1/20 0.84
ADORA2A P29274 1/20 0.84
SLC6A4 P31645 1/20 0.84

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
SCHEMBL17683310 0.95 EGFR (1.00) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL28412579 0.94 EGFR (0.91) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL28409356 0.94 EGFR (0.91) EGFRKCNH2MLNRKDM1AABCB11
Befotertinib SCHEMBL30595515 0.93 EGFR (0.86) EGFRKCNH2MLNRKDM1AABCB11
Befotertinib SCHEMBL19337178 0.93 EGFR (0.86) EGFRKCNH2MLNRKDM1AABCB11
Befotertinib SCHEMBL29774263 0.93 EGFR (0.86) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL19540860 0.93 EGFR (0.85) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL22968448 0.93 EGFR (0.90) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL17553471 0.93 EGFR (1.00) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL24117622 0.93 EGFR (0.90) EGFRKCNH2MLNRKDM1AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof INVENTISBIO CO LTD (CN) 2024-06-27 US disclosed
US-20220024897-A1 2-(2,4,5-SUBSTITUTED PHENYLAMINO) PYRIMIDINE DERIVATIVE AND CRYSTALLINE FORM B THEREOF HENAN GENUINE BIOTECH CO., LTD. (CN) 2022-01-27 US disclosed
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof InventisBio Co., Ltd. (CN) 2021-12-21 US disclosed
EP-3885344-A2 PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2021-09-29 EP disclosed
US-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2019-05-23 US disclosed
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 EP disclosed
CN-106458969-A (substituted phenyl) (substituted pyrimidine) amino derivative and preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2017-02-22 CN disclosed
WO-2016029839-A1 (SUBSTITUTED PHENYL) (SUBSTITUTED PYRIMIDINE) AMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICATION USE 四川海思科制药有限公司 2016-03-03 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 (6 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-20190152969-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885KCNH2 3939/4885MLNR 1080/4885
US-20240208967-A1 Pyrimidine or Pyridine Compounds, Preparation Method Therefor and Pharmaceutical Uses Thereof EGFR, WEE1, DPYD EGFR 1/4885KCNH2 3939/4885MLNR 1080/4885
US-11203589-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, TP53 EGFR 1/4885KCNH2 3681/4885MLNR 714/4885
US-20220024897-A1 2-(2,4,5-SUBSTITUTED PHENYLAMINO) PYRIMIDINE DERIVATIVE AND CRYSTALLINE FORM B THEREOF CYP4B1, TYMP, TOP2B EGFR 2315/4885KCNH2 2394/4885MLNR 4297/4885
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD EGFR 1/4885KCNH2 4122/4885MLNR 1233/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD EGFR 1/4885KCNH2 3939/4885MLNR 1080/4885

“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.