SCHEMBL537816

SCHEMBL537816

CN1CCC(Nc2nc3c4c(n2)N(c2ccccc2)CCC4NN3)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.40
IDH2 P48735 1/20 0.39
EHMT2 Q96KQ7 4/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
CDK1 P06493 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
EHMT1 Q9H9B1 3/20 0.35
BTK Q06187 1/20 0.35
RET P07949 1/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
IKBKB O14920 1/20 0.34
BRD4 O60885 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL538301 0.77 KDM4E (0.39)
SCHEMBL2812432 0.76 APP (0.40)
SCHEMBL2812923 0.74 ESR2 (0.47)
SCHEMBL2810442 0.74 HTR7 (0.38)
SCHEMBL2816676 0.74 IKBKB (0.37) MAPK7IDH2EHMT2KDM1ARCOR1
SCHEMBL2812231 0.74 EHMT2 (0.40) EHMT2KDM1ARCOR1EHMT1
SCHEMBL2813432 0.73 GAA (0.39)
SCHEMBL2808292 0.71 ROCK1 (0.37) EHMT2KDM1ARCOR1
SCHEMBL537815 0.71 MAPK7 (0.40) MAPK7IDH2EHMT2KDM1ARCOR1
SCHEMBL2808545 0.69 PIK3CA (0.38) KDM1A

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 MAPK7 2047/4885IDH2 229/4885EHMT2 3441/4885

“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.