SCHEMBL6119985

SCHEMBL6119985

CCNCc1nc(C)no1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A3 Q01959 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KCNJ1 P48048 4/20 0.32
HTR1A P08908 2/20 0.32
HTR2C P28335 2/20 0.32
HRH4 Q9H3N8 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CRHR1 P34998 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
Hydrochloric Acid SCHEMBL15254180 0.98 MAPT (0.42) MAPTSMN1; SMN2CYP2C9CYP2C19HSD17B10
SCHEMBL10862762 0.79 LMNA (0.40) MAPTSMN1; SMN2CYP2C9CYP2C19HSD17B10
SCHEMBL22593344 0.78
SCHEMBL13878110 0.78
SCHEMBL12904911 0.78 NPC1 (0.41) MAPTSMN1; SMN2HSD17B10LMNATSHR
SCHEMBL18884428 0.77
SCHEMBL7291657 0.76 MAPT (0.41) MAPTSMN1; SMN2CYP2C9CYP2C19HSD17B10
SCHEMBL12309 0.75
SCHEMBL12904981 0.75 HSD11B1 (0.35)
SCHEMBL17505818 0.75 MAPT (0.37) MAPTSMN1; SMN2CYP2C9CYP2C19HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
EP-2640724-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-09-25 EP disclosed
WO-2012066234-A9 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-11-01 WO disclosed
WO-2012066234-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-24 WO disclosed
US-7879862-B2 Central nervous system disorders; psychological disorders; anxiolytic agents; irritable bowel syndrome; antidepressants SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2011-02-01 US disclosed
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2008-08-14 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-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT MAPT 3406/4885SMN1; SMN2 1776/4885CYP2C9 375/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS MAPT 4169/4885SMN1; SMN2 3555/4885CYP2C9 4867/4885
US-20080194589-A1 Pyrazolo[1,5-Alpha]Pyrimidinyl Derivatives Useful as Corticotropin-Releasing Factor (Crf) Receptor Antagonists CRHR1, CRH, CRHR2 MAPT 4668/4885SMN1; SMN2 3406/4885CYP2C9 836/4885

“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.