SCHEMBL316018

SCHEMBL316018

COc1ccc(-n2nc[c]c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
S1PR4 O95977 1/20 0.46
MAPT P10636 1/20 0.46
S1PR1 P21453 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
NPBWR1 P48145 6/20 0.43
MCHR1 Q99705 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MGLL Q99685 1/20 0.42

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
SCHEMBL1906114 0.81 CYP1A2 (0.47) KMT2ASMN1; SMN2ALDH1A1NPC1S1PR4
SCHEMBL4909016 0.81 RAB9A (0.43) KMT2ASMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL1906253 0.78 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL316519 0.77 RAB9A (0.41) KMT2ASMN1; SMN2ALDH1A1NPC1S1PR4
SCHEMBL16927664 0.77 PTGS2 (0.47) KMT2ASMN1; SMN2ALDH1A1NPC1S1PR4
SCHEMBL1907231 0.75 CYP2C9 (0.40) SMN1; SMN2ALDH1A1NPC1S1PR4MAPT
SCHEMBL3244643 0.70 CYP2C9 (0.52) KMT2ASMN1; SMN2ALDH1A1NPC1S1PR4
SCHEMBL12991623 0.69 NPC1 (0.51) KMT2ASMN1; SMN2ALDH1A1NPC1S1PR4
Bromide SCHEMBL11376966 0.68 XDH (0.47) KMT2ASMN1; SMN2ALDH1A1NPC1S1PR4
SCHEMBL1908255 0.68 NPC1 (0.49) KMT2AALDH1A1NPC1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197280-B1 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-06-19 EP disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
EP-1330442-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-01-19 EP disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7750006-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2010-07-06 US disclosed
US-7151102-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-12-19 US disclosed
US-20060142293-A1 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2006-06-29 US disclosed
EP-1330442-A1 PHTHALAZINONE DERIVATIVES Kudos Pharmaceuticals Limited (GB) 2003-07-30 EP disclosed
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2002-12-05 US disclosed
WO-2002036576-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2002-05-10 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 (3 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-20060142293-A1 Phthalazinone derivatives CBR1, CBR3, PARP2 KMT2A 1242/4885SMN1; SMN2 1094/4885ALDH1A1 466/4885
US-20020183325-A1 Therapy of disease of the human or animal body mediated by poly ADP-ribosyltransferase (PARP) by administering phthalazinone derivatives PARP1, PARP11, PARP3 KMT2A 589/4885SMN1; SMN2 501/4885ALDH1A1 208/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KMT2A 1134/4885SMN1; SMN2 4519/4885ALDH1A1 2031/4885

“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.