SCHEMBL2813713

SCHEMBL2813713

COC[C@H](C)Nc1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.36
NPR1 P16066 2/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
ACKR3 P25106 1/20 0.31
BCDIN3D Q7Z5W3 1/20 0.31
FKBP1A P62942 1/20 0.31

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
SCHEMBL2814454 1.00 IDH1 (0.36) IDH1NPR1MAPK1KDM4EALDH1A1
SCHEMBL2812980 0.91 ALDH1A1 (0.34) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL2808281 0.88 MAPK1 (0.40) MAPK1KDM4EALDH1A1HPGDMEN1
SCHEMBL2812997 0.81 FLT3 (0.36) MAPK1KDM4EALDH1A1HPGDMEN1
SCHEMBL2811945 0.81 ACHE (0.38) ALDH1A1MEN1LMNAKMT2A
SCHEMBL2812371 0.80 KMT2A (0.39) IDH1KDM4EMEN1KMT2A
SCHEMBL537584 0.80 ACHE (0.45) MEN1KMT2A
SCHEMBL2812972 0.79 SIGMAR1 (0.38) MEN1KMT2A
SCHEMBL2809576 0.79 ROCK2 (0.37) MAPK1
SCHEMBL2812009 0.79 ALDH1A1 (0.38) IDH1KDM4EALDH1A1CYP3A4HPGD

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 IDH1 149/4885NPR1 3786/4885MAPK1 1997/4885

“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.