SCHEMBL4394170

SCHEMBL4394170

O=C(NCc1ccc(F)cc1N1CCC1=O)c1nc2n(c(=O)c1O)CCN2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
P2RX7 Q99572 3/20 0.37
CALCA P06881 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1G O43497 2/20 0.35
CACNA1H O95180 2/20 0.35
LMNA P02545 1/20 0.35
METAP2 P50579 3/20 0.35
RIPK1 Q13546 1/20 0.35
POLB P06746 1/20 0.34
MAPK8 P45983 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SCD O00767 1/20 0.33
CACNA1I Q9P0X4 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
SCHEMBL4398632 0.95 LMNA (0.41) CYP2C9P2RX7CALCAKCNH2LMNA
SCHEMBL4392646 0.87 GRM5 (0.36) P2RX7CACNA1GCACNA1HLMNAMETAP2
SCHEMBL4397400 0.85 MAPK8 (0.36) CYP2C9P2RX7CALCAKCNH2CACNA1G
SCHEMBL4397947 0.85 CYP2C9 (0.39) CYP2C9P2RX7CALCAKCNH2METAP2
SCHEMBL4403356 0.85 CYP2C9 (0.38) CYP2C9P2RX7CALCAKCNH2CACNA1G
SCHEMBL4390362 0.84 CYP2C9 (0.36) CYP2C9P2RX7CALCAKCNH2CACNA1G
SCHEMBL4390408 0.84 P2RX7 (0.37) CYP2C9P2RX7CALCAKCNH2CACNA1G
SCHEMBL4402459 0.83 KCNH2 (0.40) CYP2C9P2RX7CALCAKCNH2CACNA1G
SCHEMBL4399210 0.82 LMNA (0.39) P2RX7LMNAMETAP2TP53ALDH1A1
SCHEMBL4390091 0.82 KCNH2 (0.49) CYP2C9CALCAKCNH2LMNAMETAP2

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 11 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
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors CCNI, APOBEC3C, CDKN1A CYP2C9 247/4885P2RX7 2374/4885CALCA 2888/4885

“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.