SCHEMBL2737255

SCHEMBL2737255

C=C(Nc1ccc(Cl)cc1C(C)C)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 4/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ GABRA1 P14867 1/20 0.36
▸ GABRB1 P18505 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL12074798 0.82 KMT2A (0.62) LPAR1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2737241 0.80 LPAR1 (0.45) LPAR1KMT2AALDH1A1GABRA1GABRB1
SCHEMBL2737217 0.78 ALDH1A1 (0.49) LPAR1KMT2AALDH1A1MAPTLMNA
SCHEMBL2737243 0.77 LPAR1 (0.49) LPAR1KMT2AALDH1A1GABRA1GABRB1
SCHEMBL2737235 0.75 LPAR1 (0.44) LPAR1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2737368 0.73 KDM4E (0.58) LPAR1KMT2ARAB9ANPC1GABRA1
SCHEMBL11742433 0.72 LPAR1 (0.44) LPAR1KMT2AALDH1A1GABRA1GABRB1
SCHEMBL2737370 0.71 LPAR1 (0.56) LPAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL15503128 0.71 IDH1 (0.45) LPAR1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL15764105 0.69 HPGD (0.56) LPAR1KMT2ARAB9ANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2016-05-12 — — US disclosed
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 — — US disclosed
US-8809330-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-06-05 — — US disclosed
US-8486938-B2 Pyrazolo[1,5-a]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2013-07-16 — — US disclosed
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-05 — — 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-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS LPAR1 3238/4885KMT2A 3648/4885RAB9A 2243/4885
US-20120003215-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS LPAR1 3238/4885KMT2A 3648/4885RAB9A 2243/4885
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS LPAR1 3238/4885KMT2A 3648/4885RAB9A 2243/4885

“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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