SCHEMBL24982015

SCHEMBL24982015

NC(=O)C(Cc1ccc(Cl)nn1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
AAK1 Q2M2I8 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.31
KDM4E B2RXH2 2/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL24982012 0.83 AAK1 (0.40) ALDH1A1AAK1MAPTTSHRSMN1; SMN2
SCHEMBL29455549 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL25146983 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL11108549 0.69 AAK1 (0.44) ALDH1A1AAK1POLBCYP3A4PARP1
SCHEMBL20786122 0.69 AAK1 (0.47) ALDH1A1AAK1POLBCYP3A4PARP1
SCHEMBL5798744 0.68 ALDH1A1 (0.51) ALDH1A1POLBCYP3A4MAPTCYP2C19
SCHEMBL28989394 0.68 AAK1 (0.44) ALDH1A1AAK1POLBSMN1; SMN2MEN1
SCHEMBL25908652 0.67 AAK1 (0.42) ALDH1A1AAK1POLBCYP3A4PARP1
SCHEMBL11110432 0.66 AAK1 (0.41) ALDH1A1AAK1POLBCYP3A4PARP1
SCHEMBL14714615 0.66 AAK1 (0.36) ALDH1A1AAK1MAPTTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
CN-115996923-A Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof 四川海思科制药有限公司 2023-04-21 CN disclosed
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF HAISCO PHARMACEUTICALS PTE. LTD (SG) 2023-04-20 US disclosed
EP-4129989-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF Haisco Pharmaceuticals Pte. Ltd. (SG) 2023-02-08 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 (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-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 ALDH1A1 1267/4885AAK1 2410/4885POLB 2762/4885
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF DPP4, DPP3, DPP9 ALDH1A1 1267/4885AAK1 2410/4885POLB 2762/4885

“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.