Sugi Predict

Sugi Predict / Compounds / SCHEMBL5763658

SCHEMBL5763658

SCHEMBL5763658

Cc1cc(C)c(-n2cnc3c(NCc4ccccc4)cc(C)nc32)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ CD38 P28907 1/20 0.42
▸ CRHR1 P34998 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CDK1 P06493 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL5763885 0.81 CD38 (0.42) CD38MEN1KMT2ANPC1PI4KB
SCHEMBL5762166 0.80 CRHR1 (0.42) CRHR1
SCHEMBL6094839 0.80 CRHR1 (0.49) CD38CRHR1MEN1KMT2ANPC1
SCHEMBL5844074 0.75 CRHR1 (0.47) CRHR1
SCHEMBL5764768 0.73 ALDH1A1 (0.44) CRHR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL5763662 0.71 CRHR1 (0.39) CRHR1MEN1KMT2ANPC1PI4KB
SCHEMBL5762797 0.71 CRHR1 (0.46) CRHR1KMT2API4KBRAB9AGAA
SCHEMBL5793689 0.70 USP2 (0.44) MEN1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL5843198 0.68 CRHR1 (0.48) CRHR1
SCHEMBL9363742 0.66 CD38 (0.69) L3MBTL1CD38MEN1KMT2AGAA

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-7074929-B2 Certain alkylene diamine-substituted heterocycles NEUROGEN CORP. (US) 2006-07-11 — — US disclosed
EP-1224187-B1 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED HETEROCYCLES NEUROGEN CORP (US) 2006-02-22 — — EP disclosed
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2004-11-18 — — US disclosed
US-6696445-B2 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS COMPRISING HETEROCYCLIC NITROGEN COMPOUNDS AND/OR PRODRUGS USED FOR PROPHYLAXIS OF EATING AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2004-02-24 — — US disclosed
US-20030158197-A1 Certain alkylene diamine-substituted heterocycles NEUROGEN CORPORATION 2003-08-21 — — 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-20030158197-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R L3MBTL1 3052/4885CD38 1942/4885CRHR1 16/4885
US-20040229870-A1 Certain alkylene diamine-substituted heterocycles NPY1R, NPY5R, NPY2R L3MBTL1 2996/4885CD38 1963/4885CRHR1 14/4885

“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.