SCHEMBL9016834

SCHEMBL9016834

N#Cc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HIF1A Q16665 2/20 0.43
VCAM1 P19320 4/20 0.42
RAB9A P51151 1/20 0.40
CASP6 P55212 1/20 0.40
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.36
CA1 P00915 1/20 0.36
MMP2 P08253 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CTSB P07858 1/20 0.36
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL1361699 0.85 TDP1 (0.44) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL28571587 0.82 VCAM1 (0.51) TDP1ATMALDH1A1VCAM1RAB9A
SCHEMBL2416493 0.82 ATM (0.42) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL7550938 0.82 VCAM1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL1749233 0.79 VCAM1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL26928091 0.79 TDP1 (0.42) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL9899689 0.79 TDP1 (0.42) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL1850626 0.78 ALDH1A1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL57498 0.76 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29361654 0.76 TDP1 (0.54) TDP1ATMALDH1A1HIF1AVCAM1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283661-B 2, 3-Difluoro-6- (trifluoromethyl) -benzonitrile compound and preparation method thereof 江苏广域化学有限公司 2025-05-09 CN claimed
CN-116283661-A 2, 3-difluoro-6- (trifluoromethyl) -benzonitrile compound and preparation method thereof 江苏广域化学有限公司 2023-06-23 CN claimed
EP-0608713-B1 2,3-Difluoro-6-introbenzonitrile and 2-chloro-5,6-difluorobenzonitrile, process for their preparation and their use in the preparation of 2,3,6-trifluorobenzoic acid HOECHST AG (DE) 1996-12-27 EP claimed
US-5478963-A 2,3-difluoro-6-nitrobenzonitrile and 2-chloro-5,6-difluorobenzonitrile-(2,3-difluoro-6-chlorobenzonitrile), process for their preparation and their use for the preparation of 2,3,6-trifluorobenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-26 US claimed
EP-0608713-A1 2,3-Difluoro-6-introbenzonitrile and 2-chloro-5,6-difluorobenzonitrile, process for their preparation and their use in the preparation of 2,3,6-trifluorobenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-03 EP claimed
JP-7002751-A None JP disclosed
US-20260078135-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 ENLIVEN INC (US) 2026-03-19 US disclosed
EP-4587124-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 Enliven Inc. (US) 2025-07-23 EP disclosed
CN-116283661-B 2, 3-Difluoro-6- (trifluoromethyl) -benzonitrile compound and preparation method thereof 江苏广域化学有限公司 2025-05-09 CN disclosed
CN-116283661-B 2, 3-Difluoro-6- (trifluoromethyl) -benzonitrile compound and preparation method thereof 江苏广域化学有限公司 2025-05-09 CN disclosed
EP-4426697-A1 FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2024-09-11 EP disclosed
CN-118103370-A Fused tetracyclic quinazoline derivatives as ERBB2 inhibitors 英莱汶公司 2024-05-28 CN disclosed
EP-0608713-B1 2,3-Difluoro-6-introbenzonitrile and 2-chloro-5,6-difluorobenzonitrile, process for their preparation and their use in the preparation of 2,3,6-trifluorobenzoic acid HOECHST AG (DE) 1996-12-27 EP disclosed
US-5478963-A 2,3-difluoro-6-nitrobenzonitrile and 2-chloro-5,6-difluorobenzonitrile-(2,3-difluoro-6-chlorobenzonitrile), process for their preparation and their use for the preparation of 2,3,6-trifluorobenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-26 US disclosed
US-5478963-A 2,3-difluoro-6-nitrobenzonitrile and 2-chloro-5,6-difluorobenzonitrile-(2,3-difluoro-6-chlorobenzonitrile), process for their preparation and their use for the preparation of 2,3,6-trifluorobenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-26 US disclosed
US-5478963-A 2,3-difluoro-6-nitrobenzonitrile and 2-chloro-5,6-difluorobenzonitrile-(2,3-difluoro-6-chlorobenzonitrile), process for their preparation and their use for the preparation of 2,3,6-trifluorobenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1995-12-26 US disclosed
JP-H072751-A 2,3-DIFLUORO-6-NITROBENZONITRILE AND 2-CHLORO-5,6-DIFLUOROBENZONITRILE(2,3-DIFLUORO-6-CHLOROBENZONITRILE), THEIR PREPARATION AND THEIR USE FOR PREPARATION OF 2,3,6-TRIFLUOROBENZOIC ACID HOECHST AG 1995-01-06 JP disclosed
EP-0608713-A1 2,3-Difluoro-6-introbenzonitrile and 2-chloro-5,6-difluorobenzonitrile, process for their preparation and their use in the preparation of 2,3,6-trifluorobenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-03 EP disclosed
EP-0608713-A1 2,3-Difluoro-6-introbenzonitrile and 2-chloro-5,6-difluorobenzonitrile, process for their preparation and their use in the preparation of 2,3,6-trifluorobenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-03 EP disclosed
EP-0608713-A1 2,3-Difluoro-6-introbenzonitrile and 2-chloro-5,6-difluorobenzonitrile, process for their preparation and their use in the preparation of 2,3,6-trifluorobenzoic acid HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-03 EP 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-20260078135-A1 POLYCYCLIC QUINAZOLINES FOR INHIBITION OF ERBB2 ERBB2, BRCA1, ERBB3 TDP1 2757/4885ATM 1440/4885ALDH1A1 1877/4885

“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.