SCHEMBL5364112

SCHEMBL5364112

Cc1nn(C)c2c(Nc3ccc(OC(F)(F)F)cc3)nc(-c3ccccc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.44
ABCG2 Q9UNQ0 3/20 0.42
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
CTSC P53634 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
EPHX2 P34913 1/20 0.40
BCDIN3D Q7Z5W3 1/20 0.40
PLK1 P53350 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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
Hydrochloric Acid SCHEMBL5370431 0.99 CHRNA7 (0.43) CHRNA7ABCG2ABL1BCRCTSC
SCHEMBL27715058 0.92 CHRNA7 (0.47) CHRNA7ABL1BCR
Hydrochloric Acid SCHEMBL5364721 0.78 LMNA (0.47) ABCG2MEN1KMT2ATP53SMN1; SMN2
SCHEMBL6104626 0.78 ABCG2 (0.57) ABCG2MEN1KMT2ATP53SMN1; SMN2
SCHEMBL27695119 0.78 ABCG2 (0.47) ABCG2BCDIN3D
Hydrochloric Acid SCHEMBL5367305 0.77 CA2 (0.52) ABCG2ABL1MEN1KMT2APDE4B
Hydrochloric Acid SCHEMBL5360146 0.77 ABCG2 (0.60) ABCG2MEN1KMT2ATP53LMNA
Hydrochloric Acid SCHEMBL5361695 0.77 ABCG2 (0.56) ABCG2MEN1KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6106002 0.77 ABCG2 (0.46) ABCG2BCDIN3D
Hydrochloric Acid SCHEMBL5360340 0.77 CHRNA7 (0.48) CHRNA7ABL1BCR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107250-A Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS INC (US) 2008-01-16 CN claimed
CN-101107250-A Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS INC (US) 2008-01-16 CN disclosed
EP-1814885-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-08-08 EP disclosed
WO-2006073610-A2 NOVEL BICYCLIC HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 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-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG CHRNA7 4833/4885ABCG2 3081/4885ABL1 4618/4885

“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.