SCHEMBL537894

SCHEMBL537894

CCCCNc1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FLT3 P36888 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
GAS6 Q14393 2/20 0.37
TLR7 Q9NYK1 4/20 0.36
TLR8 Q9NR97 1/20 0.36
CASP6 P55212 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 1/20 0.36
EHMT2 Q96KQ7 5/20 0.35
KDM1A O60341 4/20 0.35

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
SCHEMBL2812003 0.90 KDM1A (0.47) EHMT2KDM1ARCOR1
SCHEMBL2811945 0.88 ACHE (0.38) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL537948 0.88 KDM1A (0.46) TSHRSLC2A1EHMT2KDM1ARCOR1
SCHEMBL2816638 0.85 LMNA (0.39) LMNAEHMT2KDM1ARCOR1
SCHEMBL2814505 0.85 KDM1A (0.46) ALDH1A1TSHRKDM4EHSD17B10TYRO3
SCHEMBL2814443 0.85 RXFP1 (0.35) TP53SLC2A1
SCHEMBL2810360 0.85 HDAC3 (0.36) ALDH1A1KDM4ECYP3A4SMN1; SMN2EHMT2
SCHEMBL2808425 0.85 MRGPRX1 (0.39)
SCHEMBL2812009 0.85 ALDH1A1 (0.38) ALDH1A1TSHRKDM4ECYP3A4HSD17B10
SCHEMBL2810531 0.85 MRGPRX1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP claimed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO claimed
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 ALDH1A1 924/4885TSHR 3555/4885KDM4E 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.