SCHEMBL4369989

SCHEMBL4369989

O=C(NCCN1CCCCC1)n1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
NAMPT P43490 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NPC1 O15118 1/20 0.42
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40

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
SCHEMBL378357 0.89 FPR3 (0.51) NAMPTFPR3FPR2
SCHEMBL24001121 0.87 CNR1 (0.45) NAMPTPOLBCNR1ALDH1A1
SCHEMBL589083 0.79 FAAH (0.54) CA1CA2BCHEACHE
SCHEMBL15187489 0.77 KMT2A (0.52) NAMPTMEN1KMT2ANPC1KDM4E
SCHEMBL11121639 0.76 L3MBTL1 (0.36) POLBCYP1A2CYP2D6CYP2C9NPC1
SCHEMBL8631416 0.76 L3MBTL1 (0.36) MEN1POLBKMT2ACYP1A2CYP2D6
SCHEMBL4368215 0.76 ALOX15 (0.53) MEN1POLBKMT2ACYP1A2CYP2D6
SCHEMBL365587 0.75 RAB9A (0.50) KMT2AKDM4EALDH1A1FPR3FPR2
SCHEMBL5413421 0.75 FPR3 (0.33) NPC1ALDH1A1FPR3FPR2
SCHEMBL4140655 0.74 L3MBTL1 (0.39) POLBCYP1A2CYP2D6CYP2C9NPC1

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 15 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-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-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 US disclosed
US-20040229838-A1 Purine derivatives PFIZER INC 2004-11-18 US disclosed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US disclosed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 EP disclosed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US disclosed
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 US disclosed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 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 (5 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-20040229838-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 CA12 4712/4885CA1 3146/4885CA2 2655/4885
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 CA12 3528/4885CA1 3399/4885CA2 2747/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 CA12 3588/4885CA1 3380/4885CA2 2728/4885
US-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 CA12 4712/4885CA1 3146/4885CA2 2655/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 CA12 3790/4885CA1 3211/4885CA2 2796/4885

“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.