Sugi Predict

Sugi Predict / Compounds / SCHEMBL4400787

SCHEMBL4400787

SCHEMBL4400787

Cc1ncnn1-c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCN2c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.35
▸ SCD O00767 2/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRM3 Q14832 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CACNA1G O43497 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ KLKB1 P03952 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
SCHEMBL4392371 0.90 P2RX7 (0.34) P2RX7SCDPOLBTHRB
SCHEMBL4390362 0.89 CYP2C9 (0.36) P2RX7SCDRIPK1POLBCACNA1G
SCHEMBL4397521 0.87 KCNT1 (0.36) P2RX7POLBTP53METAP2GRM5
SCHEMBL4392646 0.86 GRM5 (0.36) P2RX7SCDRIPK1POLBTP53
SCHEMBL4392706 0.86 P2RX7 (0.36) P2RX7SCDRIPK1POLBTP53
SCHEMBL51840 0.86 MYC (0.33) P2RX7
SCHEMBL4399210 0.85 LMNA (0.39) P2RX7TP53METAP2GRM5GRM3
SCHEMBL4397356 0.85 SCD (0.36) P2RX7SCDRIPK1POLBTP53
SCHEMBL13953644 0.83 P2RX7 (0.34) P2RX7POLBTP53METAP2GRM5
SCHEMBL14566971 0.83 METAP2 (0.36) P2RX7SCDRIPK1POLBTP53

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 9 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
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 P2RX7 2374/4885SCD 2458/4885RIPK1 2480/4885

“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.