SCHEMBL16807804

SCHEMBL16807804

CC(C)c1cc(F)cc2c1OCCC2

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
HTR1A P08908 7/20 0.36
SLC6A4 P31645 3/20 0.33
ALK Q9UM73 1/20 0.31
NOTUM Q6P988 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
SCHEMBL13054412 0.81 GABRA1 (0.35) NOTUM
SCHEMBL21866757 0.81 CREBBP (0.32) NOTUM
SCHEMBL12533408 0.80 PARP1 (0.31) PARP1NOTUM
SCHEMBL12407089 0.80 GABRA1 (0.40) NOTUM
SCHEMBL10093043 0.77 PARP1 (0.44) PARP1HTR1ASLC6A4ALKNOTUM
SCHEMBL4344995 0.77 PARP1 (0.46) PARP1HTR1ASLC6A4ALKNOTUM
SCHEMBL12169271 0.77 HTR2C (0.35) HTR1A
SCHEMBL10543708 0.75 HTR1A (0.33) PARP1HTR1ASLC6A4
SCHEMBL13533160 0.74 P4HB (0.31) PARP1
SCHEMBL6635190 0.74 PARP1 (0.47) PARP1HTR1ASLC6A4ALKNOTUM

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-9278975-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2016-03-08 US disclosed
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2015-06-18 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-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS PARP1 673/4885HTR1A 1821/4885SLC6A4 2636/4885

“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.