SCHEMBL16589263

SCHEMBL16589263

CC(C)(C)c1ccc(C(C)(C)C)c2[nH]ccc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCR8 P51685 1/20 0.33
KMT2A Q03164 1/20 0.32
BRD9 Q9H8M2 1/20 0.30
BRD4 O60885 1/20 0.30
PARP1 P09874 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL21237261 0.85 CFB (0.34) KIF11CCR8PARP1
SCHEMBL21237262 0.84 AHR (0.38) KIF11KDM4ESMN1; SMN2HSD17B10CCR8
SCHEMBL19286556 0.84 TNF (0.36) KIF11KDM4ESMN1; SMN2HSD17B10PARP1
SCHEMBL20385375 0.74 KDM4E (0.38) KDM4ESMN1; SMN2HSD17B10CCR8KMT2A
SCHEMBL23239423 0.72 CYP1A2 (0.32)
SCHEMBL8738083 0.72 AXL (0.32)
SCHEMBL13059117 0.72 KIF11 (0.32) KIF11KDM4ESMN1; SMN2HSD17B10
SCHEMBL19871750 0.70 BRD4 (0.55) BRD9BRD4
SCHEMBL20385458 0.70 BRD9 (0.48) BRD9BRD4
SCHEMBL2607555 0.70 AHR (0.50) KIF11CA2

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 4 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-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
US-9434695-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD (CN) 2016-09-06 US disclosed
US-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US 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-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 KIF11 4588/4885KDM4E 4069/4885SMN1; SMN2 3145/4885
US-20150087639-A1 Nitrogenous Heterocyclic Derivatives And Their Application In Drugs TNNC1, TNNI3, IAPP KIF11 4527/4885KDM4E 4181/4885SMN1; SMN2 18/4885
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF DPP4, DPP3, DPP9 KIF11 4588/4885KDM4E 4069/4885SMN1; SMN2 3145/4885

“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.