SCHEMBL12371701

SCHEMBL12371701

O=c1[nH]c2cnc(NCCCn3ccnc3)nc2n1Cc1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL13620430 0.92 QPCT (0.43) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL12371718 0.87 POLB (0.41) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL13608435 0.85 FGFR1 (0.45) FGFR1SRCPOLBALOX15TSHR
SCHEMBL13620265 0.82 POLB (0.44) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL13608370 0.80 TBXAS1 (0.43) FGFR1SRCPOLB
SCHEMBL12371788 0.80 POLB (0.44) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL13620406 0.79 POLB (0.41) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL12371799 0.78 SMN1; SMN2 (0.43) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL12371666 0.77 JAK2 (0.44)
SCHEMBL13620251 0.76 JAK2 (0.43)

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 2 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-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 FGFR1 4175/4885SRC 670/4885POLB 882/4885

“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.