SCHEMBL18812906

SCHEMBL18812906

CC(C)c1cccc(Cc2cccnc2C(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ TGFBR1 P36897 3/20 0.32
▸ PTGER1 P34995 3/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL18993963 0.84 HTR1A (0.33) CXCR4GRM5TGFBR1PTGER1HRH3
SCHEMBL21250118 0.75 SCN8A (0.34) CXCR4TGFBR1
SCHEMBL26209102 0.72 KCNH2 (0.36) CXCR4TGFBR1HRH3CYP1A2
SCHEMBL22639190 0.72 CYP2D6 (0.34) CXCR4
SCHEMBL30567627 0.70 CYP11B1 (0.33) CYP1A2
SCHEMBL1581851 0.70 KCNH2 (0.36) CXCR4ADORA2A
SCHEMBL1132718 0.70 LMNA (0.39) CYP1A2
SCHEMBL31481285 0.70 KCNH2 (0.36) CXCR4ADORA2A
SCHEMBL17828026 0.69 ADORA2A (0.43) CXCR4HRH3ADORA2A
SCHEMBL7358290 0.69 DPP4 (0.33) CYP1A2

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-9782415-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-10 — — US disclosed
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-05-04 — — 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-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK CXCR4 634/4885GRM5 1055/4885TGFBR1 923/4885

“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.

Send feedback