SCHEMBL2614366

SCHEMBL2614366

Cc1cc(-c2cccn2C)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 4/20 0.45
KDM4E B2RXH2 2/20 0.45
PDE10A Q9Y233 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALK Q9UM73 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 6/20 0.43
MAPT P10636 5/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2614367 0.81 ALOX15 (0.59) ALOX15L3MBTL1NPC1KDM4EGAA
SCHEMBL855532 0.76 ALOX15 (1.00) ALOX15L3MBTL1NPC1KDM4EMEN1
SCHEMBL23529733 0.75 L3MBTL1 (0.46) ALOX15L3MBTL1NPC1KDM4EPDE10A
SCHEMBL646282 0.70 ALOX15 (0.47) ALOX15L3MBTL1NPC1KDM4EGAA
SCHEMBL11983700 0.69 CCR1 (0.57) ALOX15NPC1KDM4EGAAHSD17B10
SCHEMBL439225 0.69 KDM4E (0.49) ALOX15NPC1KDM4EPDE10AGAA
SCHEMBL197196 0.68 PCSK9 (0.60) ALOX15NPC1KDM4EGAAHSD17B10
SCHEMBL19374774 0.68 NPC1 (0.68) ALOX15L3MBTL1NPC1KDM4EPDE10A
SCHEMBL427627 0.67 L3MBTL1 (1.00) L3MBTL1NPC1KDM4EPDE10AGAA
SCHEMBL18027880 0.67 L3MBTL1 (0.59) ALOX15L3MBTL1NPC1KDM4EPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 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 (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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALOX15 2411/4885L3MBTL1 3864/4885NPC1 2886/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALOX15 2411/4885L3MBTL1 3864/4885NPC1 2886/4885

“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.