SCHEMBL658767

SCHEMBL658767

N#Cc1cc([N+](=O)[O-])cc(Br)c1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.52
XDH P47989 1/20 0.49
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 4/20 0.42
CYP19A1 P11511 1/20 0.41
GLA P06280 1/20 0.39
GAA P10253 4/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ESPL1 Q14674 1/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR35 Q9HC97 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL30202647 1.00 VCAM1 (0.52) VCAM1XDHALDH1A1CYP3A4LMNA
SCHEMBL505035 0.82 VCAM1 (0.55) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL7086145 0.81 ALDH1A1 (0.55) VCAM1ALDH1A1CYP3A4LMNACYP19A1
SCHEMBL19072193 0.81 VCAM1 (0.53) VCAM1XDHALDH1A1CYP3A4LMNA
SCHEMBL623229 0.79 XDH (0.66) VCAM1XDHALDH1A1CYP3A4LMNA
SCHEMBL11920911 0.79 VCAM1 (0.52) VCAM1XDHALDH1A1CYP3A4LMNA
SCHEMBL16236822 0.79 VCAM1 (0.60) VCAM1XDHALDH1A1LMNACYP19A1
SCHEMBL16237206 0.79 VCAM1 (0.52) VCAM1XDHALDH1A1CYP3A4LMNA
SCHEMBL30589097 0.79 XDH (0.66) VCAM1XDHALDH1A1CYP3A4LMNA
SCHEMBL14744347 0.79 VCAM1 (0.52) VCAM1XDHALDH1A1CYP3A4LMNA

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
EP-4667458-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER, COMPRISING SOS1 INHIBITOR AND ANTICANCER DRUG Kanaph Therapeutics Inc. (KR) 2025-12-24 EP disclosed
US-20240400518-A1 SOS1 INHIBITOR AND USE THEREOF CYRUS THERAPEUTICS INC. (KR) 2024-12-05 US disclosed
WO-2024172631-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER, COMPRISING SOS1 INHIBITOR AND ANTICANCER DRUG 주식회사 카나프테라퓨틱스 2024-08-22 WO disclosed
EP-4389738-A1 SOS1 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-06-26 EP disclosed
CN-118119600-A SOS1 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-05-31 CN disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
WO-2023022497-A1 SOS1 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-02-23 WO disclosed
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 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 (2 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 VCAM1 3562/4885XDH 1992/4885ALDH1A1 490/4885
US-20240400518-A1 SOS1 INHIBITOR AND USE THEREOF SOS1, RAC1, SOS2 VCAM1 1296/4885XDH 948/4885ALDH1A1 3325/4885

“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.