SCHEMBL2809667

SCHEMBL2809667

c1ccc(N2CCc3n[nH]c4nc(NCc5cccnc5)nc2c34)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
RAD52 P43351 2/20 0.40
GPR84 Q9NQS5 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MKNK2 Q9HBH9 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
OGA O60502 1/20 0.37
CYP2C19 P33261 1/20 0.37
VNN1 O95497 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL538612 0.90 HTT (0.41) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL2810281 0.86 LTA4H (0.41) LTA4HRAD52GPR84KDM4EALDH1A1
SCHEMBL537678 0.84 HRH4 (0.42) KDM4EALDH1A1MKNK2MKNK1GAA
SCHEMBL2812428 0.83 APP (0.42) KDM4EALDH1A1MEN1NPC1LMNA
SCHEMBL2812318 0.80 MEN1 (0.41) KDM4EALDH1A1HSD17B10MEN1NPC1
SCHEMBL2812207 0.79 MKNK1 (0.42) RAD52MKNK2MKNK1OGAPKM
SCHEMBL2810436 0.78 GRK6 (0.40)
SCHEMBL13131723 0.78 HTR7 (0.39) GPR84ALDH1A1HSD17B10LMNA
SCHEMBL2812926 0.78 KDM4E (0.38) KDM4EALDH1A1MEN1NPC1LMNA
SCHEMBL2814646 0.77 MEN1 (0.51) MEN1LMNARAB9AKMT2A

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 LTA4H 2935/4885RAD52 2372/4885GPR84 3626/4885

“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.