SCHEMBL28794878

SCHEMBL28794878

FC(F)(F)c1cnc2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
MAPT P10636 1/20 0.38
CDK1 P06493 3/20 0.36
CCNB2 O95067 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35
S1PR1 P21453 1/20 0.34
P2RY14 Q15391 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PLAU P00749 1/20 0.33
GAA P10253 1/20 0.33
IDO1 P14902 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL84138 0.81 PDPK1 (0.37) PARP1MAPTALDH1A1KDM4E
SCHEMBL19840167 0.78 PDPK1 (0.32) PARP1
SCHEMBL29636027 0.76 IDO1 (0.51) PARP1IDO1
SCHEMBL20066471 0.75 PDPK1 (0.30) PARP1
SCHEMBL15900432 0.75 PARP1 (0.58) PARP1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL14858747 0.74 PARP1 (0.39) PARP1MAPTCDK1CCNB2CCNB1
SCHEMBL18687268 0.73
SCHEMBL19251501 0.71
SCHEMBL2967301 0.70 ALDH1A1 (0.33) PARP1MAPTCDK1CCNB2CCNB1
SCHEMBL23731797 0.69 KDM4E (0.33) MAPTALDH1A1KDM4ESMN1; SMN2GAA

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
EP-4634170-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF AstraZeneca AB (SE) 2025-10-22 EP disclosed
US-12157727-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2024-12-03 US disclosed
WO-2024126773-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
US-20220235028-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-07-28 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN 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-12157727-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT PARP1 1354/4885MAPT 1149/4885CDK1 1287/4885
US-20220235028-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU PARP1 1702/4885MAPT 1333/4885CDK1 1353/4885

“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.