SCHEMBL5063173

SCHEMBL5063173

Clc1nc(Cl)nc(N2CCCc3ccccc32)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
JAK3 P52333 1/20 0.53
PTK2 Q05397 1/20 0.53
ALDH1A1 P00352 7/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 1/20 0.53
ROCK1 Q13464 1/20 0.51
MAPT P10636 7/20 0.48
USP2 O75604 5/20 0.48
TSHR P16473 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NUDT1 P36639 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL17486069 0.97 JAK2 (0.53) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL17220118 0.91 ALDH1A1 (0.61) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL5064225 0.90 ALDH1A1 (0.52) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL5063368 0.89 ALDH1A1 (0.50) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL19300445 0.85 ROCK1 (0.50) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL5066683 0.82 ALDH1A1 (0.43) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL796470 0.81 ROCK1 (0.51) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL5058811 0.81 SMN1; SMN2 (0.46) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL5245431 0.78 ROCK1 (0.63) JAK2JAK3PTK2ALDH1A1LMNA
SCHEMBL23576917 0.77 TUBB4A (0.69) JAK2JAK3PTK2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010085246-A1 2,4-DIAMINO-1,3,5-TRIAZINE AND 4, 6-DIAMINO-PYRIMIDINE DERIVATIVES AND THEIR USE AS AGGRECANASE INHIBITORS PRAECIS PHARMACEUTICALS INC (US) 2010-07-29 WO disclosed
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 US disclosed
EP-1844043-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2007-10-17 EP disclosed
US-20060122222-A1 Heterocycle substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055708-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
EP-1628970-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes of Pharmaceutical Discovery, LLC (US) 2006-03-01 EP disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 US disclosed
WO-2004099192-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES OF PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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 (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-20050004114-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ JAK2 43/4885JAK3 172/4885PTK2 365/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ JAK2 43/4885JAK3 172/4885PTK2 365/4885
US-20060122222-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ JAK2 43/4885JAK3 172/4885PTK2 365/4885

“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.