SCHEMBL4403356

SCHEMBL4403356

O=C(NCc1ccc(F)cc1P(=O)(O)O)c1nc2n(c(=O)c1O)CCN2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
CALCA P06881 1/20 0.36
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 3/20 0.36
METAP2 P50579 3/20 0.35
MAPK8 P45983 2/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
RIPK1 Q13546 1/20 0.34
HTR7 P34969 3/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL10076111 0.90 CYP2C9 (0.38) CYP2C9CALCAKCNH2P2RX7METAP2
SCHEMBL4397947 0.86 CYP2C9 (0.39) CYP2C9CALCAKCNH2P2RX7METAP2
SCHEMBL4394170 0.85 CYP2C9 (0.37) CYP2C9CALCAKCNH2P2RX7METAP2
SCHEMBL4402459 0.85 KCNH2 (0.40) CYP2C9CALCAKCNH2P2RX7METAP2
SCHEMBL4390091 0.84 KCNH2 (0.49) CYP2C9CALCAKCNH2METAP2
SCHEMBL4398632 0.83 LMNA (0.41) CYP2C9CALCAKCNH2P2RX7TP53
SCHEMBL4390467 0.83 KCNH2 (0.43) CYP2C9CALCAKCNH2P2RX7METAP2
SCHEMBL4397400 0.82 MAPK8 (0.36) CYP2C9CALCAKCNH2P2RX7METAP2
SCHEMBL4390362 0.81 CYP2C9 (0.36) CYP2C9CALCAKCNH2P2RX7CACNA1G
SCHEMBL4390408 0.81 P2RX7 (0.37) CYP2C9CALCAKCNH2P2RX7MAPK8

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
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP claimed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US claimed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US claimed

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-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors CCNI, APOBEC3C, CDKN1A CYP2C9 247/4885CALCA 2888/4885KCNH2 2989/4885

“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.