SCHEMBL3633944

SCHEMBL3633944

CN(C)c1nc(CN)cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 8/20 0.38
CYP2D6 P10635 8/20 0.38
CYP3A4 P08684 5/20 0.38
CYP2C19 P33261 4/20 0.38
CYP2C9 P11712 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
ALOX15 P16050 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 2/20 0.38
USP2 O75604 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
TSHR P16473 6/20 0.37
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
MAPT P10636 2/20 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
SCHEMBL3636792 0.77 HTR2A (0.48) HTR2ACYP1A2HSD17B10LOXL2ALDH1A1
SCHEMBL30390481 0.75 TSHR (0.43) SMN1; SMN2HTTCYP1A2CYP2D6CYP3A4
SCHEMBL4237853 0.74 SMN1; SMN2 (0.43) SMN1; SMN2HTTCYP1A2CYP2D6CYP3A4
SCHEMBL4271429 0.74 MEN1 (0.46) SMN1; SMN2HTTCYP1A2CYP2D6CYP3A4
SCHEMBL30894891 0.74 HTR2A (0.50) HTR2ACYP3A4HSD17B10LOXL2TSHR
SCHEMBL31201809 0.74 SMN1; SMN2 (0.43) SMN1; SMN2HTTCYP1A2CYP2D6CYP3A4
SCHEMBL30389997 0.71 MEN1 (0.56) SMN1; SMN2HTTCYP1A2CYP2D6CYP3A4
SCHEMBL5999845 0.71 MEN1 (0.56) SMN1; SMN2HTTCYP1A2CYP2D6CYP3A4
SCHEMBL29007302 0.70 MEN1 (0.53) SMN1; SMN2CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL3638669 0.69 CYP1A2 (0.46) SMN1; SMN2HTTCYP1A2CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 HTR2A 1464/4885SMN1; SMN2 63/4885HTT 1541/4885

“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.