SCHEMBL16068645

SCHEMBL16068645

Nc1[nH]nc(-c2ccccc2)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GSK3B P49841 4/20 0.47
GSK3A P49840 3/20 0.47
CDK5 Q00535 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
RPS6KA5 O75582 1/20 0.47
CDK1 P06493 1/20 0.47
CSF1R P07333 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CLK2 P49760 1/20 0.47

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
SCHEMBL21775849 0.81 MEN1 (0.47) ALDH1A1KDM4EHPGDGAANPC1
SCHEMBL21775854 0.81 ALPL (0.44) GAANPC1RAB9AALPLMAPT
SCHEMBL5236193 0.79 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDGAANPC1
SCHEMBL19926235 0.79 MAP4K1 (0.50) ALDH1A1KDM4EHPGDGAANPC1
SCHEMBL29875448 0.79 MAP4K1 (0.50) ALDH1A1KDM4EHPGDGAANPC1
SCHEMBL21775713 0.78 MKNK1 (0.46) KDM4ENPC1RAB9AKDRMAP2K4
SCHEMBL19926065 0.78 GSK3A (0.57) ALDH1A1KDM4EHPGDGAANPC1
SCHEMBL4005629 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAANPC1
SCHEMBL4057416 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAANPC1
SCHEMBL13715982 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250230168-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. 2025-07-17 US disclosed
WO-2025137640-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-26 WO disclosed
EP-2970141-B1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON CORP (US) 2020-02-26 EP disclosed
US-20180186751-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-07-05 US disclosed
US-20180186751-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-07-05 US disclosed
US-20180186751-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-07-05 US disclosed
US-9951025-B2 Halogenopyrazoles as inhibitors of thrombin VERSEON CORPORATION (US) 2018-04-24 US disclosed
US-9951025-B2 Halogenopyrazoles as inhibitors of thrombin VERSEON CORPORATION (US) 2018-04-24 US disclosed
US-9951025-B2 Halogenopyrazoles as inhibitors of thrombin VERSEON CORPORATION (US) 2018-04-24 US disclosed
US-20160046585-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-02-18 US disclosed
US-20160046585-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-02-18 US disclosed
US-20160046585-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-02-18 US disclosed
WO-2014149139-A2 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2014-09-25 WO disclosed
WO-2014146059-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2014-09-18 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 (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-20250230168-A1 AZASPIRO WRN INHIBITORS WRN, RECQL, BLM ALDH1A1 1316/4885KDM4E 3650/4885HPGD 583/4885
US-20180186751-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN F2, TFPI, SERPINC1 ALDH1A1 3106/4885KDM4E 4027/4885HPGD 960/4885
US-20160046585-A1 HALOGENOPYRAZOLES AS INHIBITORS OF THROMBIN F2, TFPI, SERPINC1 ALDH1A1 3106/4885KDM4E 4027/4885HPGD 960/4885

“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.