SCHEMBL31400342

SCHEMBL31400342

OB(O)c1cnn2nc(-c3cccc(Cl)c3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.43
IDO1 P14902 3/20 0.38
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL31057633 0.80 FYN (0.42) FYNIDO1KDM1AMAOBSMN1; SMN2
SCHEMBL31057644 0.78 KMO (0.45) FYNTSHRNPC1RAB9A
SCHEMBL30965404 0.77 SLC6A3 (0.43) FYNTSHRNPC1SMN1; SMN2
SCHEMBL31400323 0.73 FYN (0.36) FYNIDO1
SCHEMBL9389147 0.66 KMT2A (0.60) FYNIDO1NPC1RAB9A
SCHEMBL10264655 0.64 CYP3A4 (0.54) FYNIDO1KDM1AMAOBNPC1
SCHEMBL29990814 0.64 DYRK1A (0.42) DYRK3CDK5DYRK1ACDK5R1DYRK2
SCHEMBL10835032 0.63 IDO1 (0.47) IDO1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL24795391 0.62 ENPP2 (0.46) TSHRMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL16664764 0.62 IDO1 (0.44) FYNIDO1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059165-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-20 US disclosed
WO-2025031918-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-02-13 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 (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-20250059165-A1 PIPERIDINYLPYRIDINYLCARBONITRILE DERIVATIVES AS INHIBITORS OF GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE AND GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE LIKE PROTEIN QPCT, QPCTL, GLUL FYN 2977/4885IDO1 2573/4885DYRK3 4424/4885

“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.