SCHEMBL156334

SCHEMBL156334

Nc1ncnc2cc(F)c([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 10/20 0.43
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
EGFR P00533 3/20 0.40
VCAM1 P19320 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL30420453 1.00 MAP4K4 (0.43) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL29719028 0.83 EGFR (0.41) EGFRVCAM1ATMTDP1MAPT
SCHEMBL27768928 0.83 VCAM1 (0.40) EGFRVCAM1ATMTDP1MAPT
SCHEMBL25409 0.83 EGFR (0.41) EGFRVCAM1ATMTDP1MAPT
SCHEMBL28755534 0.81 GAA (0.49) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL13083345 0.81 EGFR (0.51) MAP4K4PI4KAPI4K2BPI4K2API4KB
SCHEMBL17538470 0.81 MAPT (0.40) EGFRVCAM1ATMTDP1MAPT
Hydrochloric Acid SCHEMBL4781507 0.81 EGFR (0.40) EGFRVCAM1ATMTDP1MAPT
SCHEMBL29781306 0.81 ALDH1A1 (0.40) EGFRVCAM1ATMTDP1MAPT
SCHEMBL1766092 0.81 ALDH1A1 (0.40) EGFRVCAM1ATMTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861120-A Preparation method of dacomitinib 湖南南新制药股份有限公司 2021-12-31 CN disclosed
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP disclosed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US disclosed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 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 (1 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-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX MAP4K4 1375/4885PI4KA 2249/4885PI4K2B 2510/4885

“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.