SCHEMBL19303648

SCHEMBL19303648

CC(C)c1nc(N(C)C)n2ncnc(N)c12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 3/20 0.38
▸ RET P07949 4/20 0.38
▸ KDR P35968 3/20 0.38
▸ ENPP1 P22413 6/20 0.35
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ NTRK2 Q16620 1/20 0.31

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
SCHEMBL13077692 0.83 RET (0.40) ACVRL1RETKDRENPP1ADORA2A
SCHEMBL410217 0.80 RET (0.40) ACVRL1RETKDRADORA2AADORA1
SCHEMBL10260070 0.67 RET (0.40) ACVRL1RETKDRADORA2AADORA1
SCHEMBL19476929 0.66 RET (0.39) ACVRL1RETKDRADORA2AADORA1
SCHEMBL13968294 0.64 ALDH1A1 (0.31) RETKDR
SCHEMBL15932550 0.64 RET (0.38) ACVRL1RETKDRADORA2AADORA1
SCHEMBL14488780 0.64 ACVRL1 (0.52) ACVRL1RETKDRADORA2AADORA1
SCHEMBL26690322 0.64 ACVRL1 (0.52) ACVRL1RETKDRADORA2AADORA1
SCHEMBL15932552 0.64 ACVRL1 (0.52) ACVRL1RETKDRADORA2AADORA1
SCHEMBL26271741 0.62 ACVRL1 (0.51) ACVRL1RETKDRADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors PHARMACYCLICS, INC. 2017-08-31 — — 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-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN ACVRL1 4164/4885RET 166/4885KDR 997/4885

“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.

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