SCHEMBL13622702

SCHEMBL13622702

Bc1ccc2nc(I)nc(N3CCOCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
MAPT P10636 2/20 0.48
PIK3CA P42336 3/20 0.47
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 2/20 0.43
MTOR P42345 3/20 0.42
PIK3R1 P27986 2/20 0.42
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 2/20 0.40
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 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
SCHEMBL25719380 0.76 ALDH1A1 (0.50) KDM4EMAPTPIK3CAALDH1A1HPGD
SCHEMBL25719390 0.73 ALDH1A1 (0.50) KDM4EMAPTPIK3CAALDH1A1HPGD
SCHEMBL27953666 0.69 PIK3CA (0.72) KDM4EPIK3CAPOLBMTORPIK3R1
SCHEMBL3776763 0.69 SMN1; SMN2 (0.61) KDM4EMAPTPIK3CAALDH1A1HPGD
SCHEMBL11739973 0.68 KDM4E (0.63) KDM4EPIK3CAALDH1A1HPGDGLA
SCHEMBL25719399 0.68 PIK3CA (0.60) KDM4EMAPTPIK3CAALDH1A1HPGD
SCHEMBL11739337 0.68 ATM (0.70) KDM4EMAPTPIK3CAALDH1A1HPGD
SCHEMBL25724448 0.68 PIK3CA (0.62) PIK3CAPOLBMTORPIK3R1
SCHEMBL4113454 0.67 SMN1; SMN2 (0.59) KDM4EMAPTPIK3CAALDH1A1HPGD
SCHEMBL9404419 0.67 SMN1; SMN2 (0.59) KDM4EMAPTPIK3CAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 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 (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-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 KDM4E 3697/4885MAPT 2861/4885PIK3CA 1307/4885

“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.