SCHEMBL12371718

SCHEMBL12371718

O=c1[nH]c2cnc(NCCCn3ccnc3)nc2n1Cc1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HTT P42858 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.39
EGFR P00533 1/20 0.39
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL13620265 0.90 POLB (0.44) POLBHTTALOX15TSHRSMN1; SMN2
SCHEMBL12371788 0.89 POLB (0.44) POLBHTTALOX15TSHRSMN1; SMN2
SCHEMBL13620406 0.88 POLB (0.41) POLBHTTALOX15TSHRSMN1; SMN2
SCHEMBL13620430 0.88 QPCT (0.43) POLBHTTALOX15TSHRSMN1; SMN2
SCHEMBL12371799 0.87 SMN1; SMN2 (0.43) POLBHTTALOX15TSHRSMN1; SMN2
SCHEMBL12371701 0.87 FGFR1 (0.41) POLBHTTALOX15TSHRSMN1; SMN2
SCHEMBL12371672 0.84 ADORA2A (0.43) TSHRADORA2AEPHX2PPARG
SCHEMBL13608435 0.84 FGFR1 (0.45) POLBHTTALOX15TSHRSMN1; SMN2
SCHEMBL13608370 0.81 TBXAS1 (0.43) POLB
SCHEMBL12371780 0.76 EPHX2 (0.43) ADORA2AEPHX2PPARG

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
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
WO-2008143674-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2008-11-27 WO disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 US disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 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-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PRKCE, PRKCH, PRKCQ POLB 882/4885HTT 4705/4885ALOX15 4380/4885

“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.