SCHEMBL537833

SCHEMBL537833

CSc1nc2c3c(n[nH]c3n1)C(C(=O)O)CN2c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
FFAR2 O15552 1/20 0.32
ALDH1A1 P00352 5/20 0.31
POLB P06746 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
METAP2 P50579 1/20 0.31
PPARG P37231 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2833697 0.82 CACNA1G (0.39) MAPTALDH1A1SMN1; SMN2PPARGKMT2A
SCHEMBL538300 0.73 KDM4E (0.43) MAPTKDM4ERXFP1ALDH1A1POLB
SCHEMBL537834 0.67 KDM4E (0.33) MAPTKDM4ERXFP1FFAR2ALDH1A1
SCHEMBL537810 0.63 ALDH1A1 (0.36) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL3291782 0.61 ALDH1A1 (0.44) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL537883 0.59 SMN1; SMN2 (0.39) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL14019129 0.59 KDM4E (0.48) MAPTKDM4ERXFP1ALDH1A1SMN1; SMN2
SCHEMBL9734334 0.58 NPC1 (0.42) MAPTALDH1A1POLBSMN1; SMN2HPGD
SCHEMBL538301 0.57 KDM4E (0.39) MAPTKDM4ERXFP1FFAR2ALDH1A1
SCHEMBL4020027 0.57 HTR2A (0.33) TDP1KMT2A

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
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 CNR2 1666/4885MAPT 2947/4885KDM4E 2749/4885

“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.