SCHEMBL3536096

SCHEMBL3536096

c1ccc(-c2nc3cncnc3nc2-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.67
CYP1A2 P05177 10/20 0.51
CYP3A4 P08684 6/20 0.51
TSHR P16473 2/20 0.51
CLK4 Q9HAZ1 1/20 0.51
CYP2C19 P33261 7/20 0.50
USP2 O75604 7/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPK1 P28482 6/20 0.50
CYP2C9 P11712 5/20 0.50
HSD17B10 Q99714 4/20 0.47
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL24036994 0.86 PIK3CG (0.52) PIK3CGCYP1A2CYP3A4TSHRCLK4
SCHEMBL12578179 0.82 PIK3CG (0.55) PIK3CGCYP1A2CYP3A4TSHRCLK4
Ammonia Solution, Strong SCHEMBL4352351 0.81 PIK3CG (0.66) PIK3CGCYP1A2CYP3A4TSHRCLK4
SCHEMBL10783440 0.76 SMN1; SMN2 (0.49) PIK3CGCYP1A2CYP3A4TSHRCLK4
SCHEMBL30124132 0.76 EGFR (0.54) PIK3CGCYP1A2CYP3A4TSHRCLK4
SCHEMBL35632 0.76 EGFR (0.54) PIK3CGCYP1A2CYP3A4TSHRCLK4
SCHEMBL3292267 0.75 PIK3CG (0.47) PIK3CGCYP1A2CYP3A4TSHRCLK4
SCHEMBL29516689 0.73 MAPK14 (0.63) ALDH1A1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL284971 0.73 MAPK14 (0.63) ALDH1A1MAPK1LMNAKMT2AL3MBTL1
SCHEMBL6236262 0.73 CYP1A2 (0.56) PIK3CGCYP1A2CYP3A4TSHRCLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7691858-B2 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2010-04-06 US disclosed
US-20070259876-A1 Kinase inhibitors and methods of use thereof TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20050282814-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2005-12-22 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 (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-20070259876-A1 Kinase inhibitors and methods of use thereof ROCK1, ADCK1, MAP3K20 PIK3CG 180/4885CYP1A2 4859/4885CYP3A4 4820/4885
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885CYP1A2 4876/4885CYP3A4 4829/4885
US-20050282814-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 PIK3CG 2378/4885CYP1A2 4876/4885CYP3A4 4829/4885

“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.