SCHEMBL64282

SCHEMBL64282

Cc1ccccc1CNC(=O)c1nc2n(c(=O)c1O)CC1CCC2(NC(=O)C(=O)N(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
TP53 P04637 2/20 0.36
KCNH2 Q12809 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RX7 Q99572 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOB P27338 1/20 0.33
EPHX2 P34913 1/20 0.33
HTT P42858 1/20 0.32
PLAT P00750 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL64544 0.91 CYP2C9 (0.41) CYP2C9TP53KCNH2HPGDALDH1A1
SCHEMBL63942 0.90 LIPG (0.39) CYP2C9KCNH2
SCHEMBL64273 0.90 CYP2C9 (0.39) CYP2C9HPGDALDH1A1LMNA
SCHEMBL53142 0.90 CYP2C9 (0.45) CYP2C9KCNH2ALDH1A1HTT
SCHEMBL52513 0.89 CYP2C9 (0.45) CYP2C9KCNH2P2RX7SMN1; SMN2
SCHEMBL63536 0.89 CNR1 (0.40) CYP2C9HPGDP2RX7EPHX2
SCHEMBL63936 0.87 HSD17B13 (0.39) CYP2C9ADORA2AADORA1EPHX2
SCHEMBL63518 0.87 CYP2C9 (0.46) CYP2C9TP53KCNH2ALDH1A1HTT
SCHEMBL64267 0.87 ALDH1A1 (0.40) CYP2C9TP53HPGDALDH1A1SMN1; SMN2
SCHEMBL64555 0.86 LMNA (0.40) CYP2C9TP53ALDH1A1ADORA2AMAOB

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
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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 (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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG CYP2C9 602/4885TP53 1122/4885KCNH2 3969/4885

“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.