SCHEMBL4368215

SCHEMBL4368215

O=C(NCCN1CCc2ccccc2C1)n1ccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 3/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
OPRM1 P35372 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL589083 0.78 FAAH (0.54) MAPTSIGMAR1
SCHEMBL24001121 0.77 CNR1 (0.45) POLBALDH1A1HDAC8TSHR
SCHEMBL27246707 0.77 HDAC3 (0.61) ALOX15MEN1TP53KMT2AMAPT
SCHEMBL13135946 0.76 ALOX15 (0.62) ALOX15MEN1TP53KMT2AMAPT
SCHEMBL4369989 0.76 CA12 (0.45) MEN1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL30945656 0.74 POLB (0.65) ALOX15MEN1TP53KMT2AMAPT
SCHEMBL14720609 0.74 DRD2 (0.72) ALOX15MEN1TP53KMT2AMAPT
SCHEMBL30945664 0.74 POLB (0.65) ALOX15MEN1TP53KMT2AMAPT
SCHEMBL10244533 0.74 POLB (0.65) ALOX15MEN1TP53KMT2AMAPT
SCHEMBL22545843 0.71 PRMT5 (0.72) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2006-06-08 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 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 (2 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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ALOX15 1675/4885MEN1 2709/4885TP53 2508/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ALOX15 1583/4885MEN1 2428/4885TP53 2816/4885

“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.