SCHEMBL2812440

SCHEMBL2812440

c1cncc(CNc2nc3c4c(n[nH]c4n2)CCN3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
CYP2C19 P33261 1/20 0.42
RAD52 P43351 2/20 0.42
PKM P14618 1/20 0.42
LTA4H P09960 1/20 0.42
KDM4E B2RXH2 3/20 0.40
CDK2 P24941 2/20 0.40
CLK1 P49759 2/20 0.40
DYRK1A Q13627 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL537750 0.88 HTT (0.39) RAD52PKMKDM4EALDH1A1LMNA
SCHEMBL538533 0.81 APP (0.42) CYP2C19KDM4ECDK2DYRK1ACLK4
SCHEMBL537732 0.81 CETP (0.40) KDM4EALDH1A1
SCHEMBL2809667 0.75 LTA4H (0.41) HSD17B10CYP2C19RAD52PKMLTA4H
SCHEMBL2810281 0.75 LTA4H (0.41) RAD52PKMLTA4HKDM4EGPR84
SCHEMBL2816650 0.70 ALDH1A1 (0.43) CYP2C19PKMKDM4EDYRK1ACLK4
SCHEMBL2812443 0.69 PKM (0.42) HSD17B10CYP2C19RAD52PKMLTA4H
SCHEMBL538311 0.69 ALDH1A1 (0.42) HSD17B10CYP2C19PKMKDM4EDYRK1A
SCHEMBL2812207 0.68 MKNK1 (0.42) RAD52PKM
SCHEMBL31119275 0.67 CYP1A2 (0.45) HSD17B10CYP2C19LTA4HKDM4ECLK1

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 7 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
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 HSD17B10 3435/4885CYP2C19 538/4885RAD52 2372/4885

“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.