SCHEMBL820736

SCHEMBL820736

CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.71
TSHR P16473 2/20 0.48
LMNA P02545 6/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
TYR P14679 1/20 0.46
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
USP2 O75604 1/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL65312 1.00 KIF11 (0.71) KIF11TSHRLMNAMAPTHTT
SCHEMBL27528935 0.97 KIF11 (0.68) KIF11TSHRLMNAMAPTHTT
SCHEMBL29245411 0.97 KIF11 (0.68) KIF11TSHRLMNAMAPTHTT
SCHEMBL28443995 0.97 KIF11 (0.68) KIF11TSHRLMNAMAPTHTT
SCHEMBL20137330 0.97 KIF11 (0.68) KIF11TSHRLMNAMAPTHTT
Lithium SCHEMBL29576172 0.97 KIF11 (0.68) KIF11TSHRLMNAMAPTHTT
Ethane SCHEMBL3064994 0.97 KIF11 (0.68) KIF11TSHRLMNAMAPTHTT
Hydrochloric Acid SCHEMBL15140525 0.97 KIF11 (0.68) KIF11TSHRLMNAMAPTHTT
SCHEMBL16694367 0.92 KIF11 (0.86) KIF11TSHRLMNAMAPTHTT
SCHEMBL18866678 0.89 KIF11 (0.67) KIF11TSHRLMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594701-A Preparation method of allyl-substituted aryl borate organic boron compound 青海师范大学(CN) 2023-01-13 CN claimed
CN-115448941-A Preparation method of allyl substituted aryl organosilicon compound 青海师范大学 2022-12-09 CN claimed
US-20250026759-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME LLC (US) 2025-01-23 US disclosed
CN-117813302-A Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators 沃泰克斯药物股份有限公司 2024-04-02 CN disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
WO-2010048920-A1 RADIATION-EMITTING DEVICE OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2010-05-06 WO disclosed
EP-1904441-A4 PROCESS FOR PRODUCING CYANO SUBSTITUTED ARENE BORANES AND COMPOUNDS UNIV MICHIGAN STATE (US) 2009-05-13 EP disclosed
EP-1904441-A1 PROCESS FOR PRODUCING CYANO SUBSTITUTED ARENE BORANES AND COMPOUNDS MICHIGAN STATE UNIVERSITY (US) 2008-04-02 EP disclosed
WO-2006135705-A1 PROCESS FOR PRODUCING CYANO SUBSTITUTED ARENE BORANES AND COMPOUNDS MICHIGAN STATE UNIVERSITY (US) 2006-12-21 WO 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 KIF11 95/4885TSHR 185/4885LMNA 1269/4885
US-20250026759-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS ACIN1, REV1, NFATC1 KIF11 3314/4885TSHR 4805/4885LMNA 3610/4885

“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.