SCHEMBL1702207

SCHEMBL1702207

Nc1cc(-c2ccc(F)cc2)[nH]n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
KMT2A Q03164 2/20 0.67
MKNK2 Q9HBH9 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MKNK1 Q9BUB5 1/20 0.67
MEN1 O00255 1/20 0.67
USP2 O75604 1/20 0.67
MITF O75030 1/20 0.61
TP53 P04637 1/20 0.61
DYRK1A Q13627 1/20 0.61
AXL P30530 1/20 0.58
KEAP1 Q14145 1/20 0.58
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
GFER P55789 1/20 0.57
LTA4H P09960 1/20 0.56
APP P05067 1/20 0.54
POLB P06746 1/20 0.46
GAK O14976 1/20 0.46

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
SCHEMBL28573902 0.83 ALDH1A1 (0.71) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1
SCHEMBL28757721 0.82 KMT2A (0.47) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1
SCHEMBL28587883 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1
SCHEMBL30512083 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1
SCHEMBL1662946 0.80 SMN1; SMN2 (1.00) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1
SCHEMBL2303414 0.80 ALDH1A1 (0.67) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1
SCHEMBL6956022 0.80 ALDH1A1 (0.67) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1
SCHEMBL5630086 0.80 MKNK1 (1.00) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1
SCHEMBL13815700 0.80 KMT2A (1.00) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1
SCHEMBL28914376 0.80 ALDH1A1 (0.67) ALDH1A1KMT2AMKNK2SMN1; SMN2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023380-B Pyrazolopyrimidine derivative, and preparation method and application thereof 沈阳药科大学 2024-01-23 CN disclosed
EP-3749647-B1 N-(5-(PHENYL)-1H-PYRAZOL-3-YL)-1H-INDOL-5-AMINE DERIVATIVES AS TNIK INHIBITORS FOR THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-09-27 EP disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
CN-112876482-B Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2023-07-28 CN disclosed
WO-2023071218-A1 PYRAZOLOPYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 沈阳药科大学 2023-05-04 WO disclosed
CN-116023380-A Pyrazolopyrimidine derivative, and preparation method and application thereof 沈阳药科大学 2023-04-28 CN disclosed
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 US disclosed
CN-112876482-A Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2021-06-01 CN disclosed
US-20210047300-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-02-18 US disclosed
WO-2010015655-A1 CYCLOHEXYL AMIDE DERIVATIVES AND THEIR USE AS CRF-1 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2010-02-11 WO disclosed
US-5723481-A ANTIULCER AGENTS AND 5-LIPOXYGENASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5698576-A POSSESS ANTI-ULCER AND 5-LIPOXYGENASE INHIBITORY ACTIVITIES SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5665752-A LIPOXYGENASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-09-09 US disclosed
CN-1034333-C Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO CO (JP) 1997-03-26 CN disclosed
CN-1032207-C Imidazopyrazole derivatives useful as analgesics and anti-inflammatory agents SANKYO CO (JP) 1996-07-03 CN disclosed
US-5354768-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY, LIMITED (JP) 1994-10-11 US disclosed
EP-0353047-B1 Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO CO (JP) 1994-10-05 EP disclosed
US-5232939-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY LIMITED (JP) 1993-08-03 US disclosed
EP-0353047-A2 Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents Sankyo Company Limited (JP) 1990-01-31 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 (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-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK ALDH1A1 4519/4885KMT2A 2586/4885MKNK2 213/4885
US-20210047300-A1 HETERO RING-FUSED PHENYL COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK ALDH1A1 4644/4885KMT2A 2261/4885MKNK2 223/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK ALDH1A1 4519/4885KMT2A 2586/4885MKNK2 213/4885

“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.