SCHEMBL1695877

SCHEMBL1695877

Cc1ccc(-n2ccc(C(C)(C)C)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
HTT P42858 5/20 0.45
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.40
CDK8 P49336 1/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 2/20 0.38
MAPK14 Q16539 1/20 0.37
UBE2N P61088 1/20 0.37
PAX8 Q06710 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL3875024 0.90 HTT (0.42) NOTUMHTTALDH1A1POLBKMT2A
SCHEMBL8259527 0.85 NPC1 (0.58) NOTUMHTTALDH1A1POLBKMT2A
SCHEMBL17688930 0.85 NOTUM (0.43) NOTUMALDH1A1NPC1MAPTHPGD
SCHEMBL7839870 0.84 ELOVL1 (0.45) HTTKMT2ANPC1MAPTKDM4E
SCHEMBL16911575 0.78 ESR1 (0.41) NOTUMHTTALDH1A1NPC1MAPT
SCHEMBL28354521 0.78 HTT (0.65) HTTALDH1A1POLBKMT2ANPC1
SCHEMBL17130591 0.78 NPC1 (0.38) NOTUMHTTALDH1A1KMT2ANPC1
SCHEMBL30704918 0.78 HRH3 (0.40) HTTALDH1A1POLBNPC1MAPT
SCHEMBL17885744 0.78 NPC1 (0.41) HTTALDH1A1POLBKMT2ANPC1
SCHEMBL12422701 0.77 HTT (0.59) NOTUMHTTALDH1A1POLBKMT2A

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
EP-2580212-B1 Urea derivatives and their therapeutic use in the treatment of, inter alia, diseases of the respiratory tract CHIESI FARMA SPA (IT) 2015-01-28 EP disclosed
WO-2014134313-A1 INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF ARRAY BIOPHARMA INC. (US) 2014-09-04 WO disclosed
EP-2229391-B1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-08-06 EP disclosed
US-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CHIESI FARMACEUTICI S.P.A. (IT) 2012-04-12 US disclosed
WO-2010094956-A1 TRIAZOLOPYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED. (GB) 2010-08-26 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 (1 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-20120088763-A1 TRIAZOLOPYRIDINE DERIVATIVES AND THEIR THERAPEUTIC USE CNKSR1, MOK, MAPK1 NOTUM 4737/4885HTT 4078/4885ALDH1A1 1860/4885

“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.