SCHEMBL2833701

SCHEMBL2833701

CSc1nc2c3c(n1)N(Cc1ccccc1)CC(C(=O)O)C3NN2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.37
CCKBR P32239 2/20 0.36
CACNA1G O43497 8/20 0.36
CACNA1H O95180 8/20 0.36
CACNA1I Q9P0X4 8/20 0.36
BRD4 O60885 2/20 0.34
KMT2A Q03164 1/20 0.33
ACE P12821 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL538741 0.89 USP30 (0.37) CACNA1GCACNA1HCACNA1IBRD4ALDH1A1
SCHEMBL537834 0.82 KDM4E (0.33) CCKBRKMT2AALDH1A1MAPT
SCHEMBL2814288 0.72 KMT2A (0.39) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL538581 0.72 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL2809465 0.72 HTR6 (0.40) CACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL2815946 0.72 MC4R (0.44) CACNA1GCACNA1HCACNA1I
SCHEMBL2812072 0.71 MC4R (0.39) CACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL2811933 0.71 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IALDH1A1
SCHEMBL2813056 0.71 KMT2A (0.37) CACNA1GCACNA1HCACNA1IKMT2AALDH1A1
SCHEMBL2812136 0.71 POLB (0.41) CACNA1GCACNA1HCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 (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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 PPARG 206/4885CCKBR 1259/4885CACNA1G 4588/4885

“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.