SCHEMBL4392706

SCHEMBL4392706

Cc1ncn(-c2cc(F)ccc2CNC(=O)c2nc3n(c(=O)c2OCc2ccccc2)CCN3c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.36
RIPK1 Q13546 1/20 0.34
GRM5 P41594 1/20 0.34
GRM3 Q14832 1/20 0.34
SCD O00767 2/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 3/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
METAP2 P50579 1/20 0.33
MAPT P10636 1/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
F11 P03951 1/20 0.32
CACNA1G O43497 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
SCHEMBL4392389 0.90 P2RX7 (0.33) P2RX7POLBTHRBLMNAPSEN1
SCHEMBL4390408 0.89 P2RX7 (0.37) P2RX7RIPK1POLBMAPTCACNA1G
SCHEMBL4397521 0.88 KCNT1 (0.36) P2RX7GRM5GRM3POLBLMNA
SCHEMBL4397739 0.88 CNR1 (0.35) P2RX7SCDPOLBTHRBLMNA
SCHEMBL4392646 0.86 GRM5 (0.36) P2RX7RIPK1GRM5GRM3SCD
SCHEMBL4400787 0.86 P2RX7 (0.35) P2RX7RIPK1GRM5GRM3SCD
SCHEMBL4399210 0.85 LMNA (0.39) P2RX7GRM5GRM3KMT2ALMNA
SCHEMBL4397356 0.85 SCD (0.36) P2RX7RIPK1GRM5GRM3SCD
SCHEMBL13953644 0.83 P2RX7 (0.34) P2RX7GRM5GRM3POLBLMNA
SCHEMBL14566971 0.83 METAP2 (0.36) P2RX7RIPK1GRM5GRM3SCD

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 10 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 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
EP-1919921-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2008-05-14 EP disclosed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO 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 P2RX7 2374/4885RIPK1 2480/4885GRM5 4550/4885

“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.