Sugi Predict

Sugi Predict / Compounds / SCHEMBL15077050

SCHEMBL15077050

SCHEMBL15077050

CC(C)c1ccc2cccc(F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.40
▸ PFKFB3 Q16875 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ LMNA P02545 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MCHR1 Q99705 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PRNP P04156 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GPR65 Q8IYL9 1/20 0.33

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
SCHEMBL4585312 0.79 CCR1 (0.43) SMN1; SMN2KDM4ELMNAMAPTRAB9A
SCHEMBL10199505 0.78 LMNA (0.41) SMN1; SMN2KDM4ELMNAMAPTMCHR1
SCHEMBL2609306 0.78 AR (0.41) ARPFKFB3LMNAMCHR1TDP1
SCHEMBL17179483 0.77 BACE1 (0.53) ARSMN1; SMN2KDM4ELMNAMAPT
SCHEMBL22932120 0.77 MCHR1 (0.34) SMN1; SMN2KDM4ELMNAMAPTMCHR1
SCHEMBL10022408 0.77 METAP2 (0.58) SMN1; SMN2KDM4ELMNAMAPTNPC1
SCHEMBL2609299 0.77 XPO1 (0.42) ARLMNANPC1MCHR1KMT2A
SCHEMBL19979738 0.74 ALDH1A1 (0.42) MAPTNPC1RAB9ATDP1ALDH1A1
SCHEMBL9907235 0.74 CA2 (0.36) MAPTMCHR1TDP1ALDH1A1METAP2
SCHEMBL2850710 0.74 MCHR1 (0.59) KDM4ELMNAMAPTNPC1RAB9A

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-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
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
US-8946238-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2015-02-03 — — US disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 — — 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 (3 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-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS AR 4381/4885PFKFB3 325/4885SMN1; SMN2 1233/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS AR 4381/4885PFKFB3 325/4885SMN1; SMN2 1233/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS AR 4381/4885PFKFB3 325/4885SMN1; SMN2 1233/4885

“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.