SCHEMBL3264279

SCHEMBL3264279

COc1ccc(-c2ccc3nc(N)cn3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 3/20 0.49
DYRK1A Q13627 2/20 0.48
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 2/20 0.47
HPGD P15428 2/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
ADORA1 P30542 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CG P48736 1/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
F2RL3 Q96RI0 1/20 0.45

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
SCHEMBL12664018 0.83 TP53 (0.50) ALDH1A3DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL798566 0.82 PIK3CG (0.50) DYRK1APIK3CDPIK3CAPIK3CG
SCHEMBL3513815 0.82 DYRK1A (0.64) ALDH1A3DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL18613326 0.82 ALDH1A3 (0.56) ALDH1A3DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL3232733 0.82 BRD4 (0.53) ALDH1A3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3263422 0.81 DYRK1A (0.49) ALDH1A3DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL13188559 0.79 FYN (0.56) PIK3CA
SCHEMBL22275866 0.76 KDM4E (0.50) NPC1RAB9AALDH1A1KDM4EHPGD
SCHEMBL936706 0.76 PIK3CG (0.58) ALDH1A3DYRK1ANPC1RAB9ASMN1; SMN2
SCHEMBL31483039 0.75 PIK3CA (0.61) PIK3CDPIK3CAPIK3CG

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
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
WO-2010007099-A1 2-AMINOIMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2010-01-21 WO disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 ALDH1A3 3321/4885DYRK1A 1346/4885NPC1 2569/4885

“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.