SCHEMBL3118196

SCHEMBL3118196

COc1ccc(-c2cnc(C(F)(F)F)nc2NC2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 5/20 0.62
▸ GABBR1 Q9UBS5 5/20 0.62
▸ TYRO3 Q06418 5/20 0.52
▸ AXL P30530 4/20 0.52
▸ ADORA3 P0DMS8 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ TLR7 Q9NYK1 2/20 0.44
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GALR2 O43603 1/20 0.42
▸ GALR1 P47211 1/20 0.42
▸ MERTK Q12866 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL3121498 0.87 GABBR2 (0.67) GABBR2GABBR1TYRO3AXLADORA3
SCHEMBL3123882 0.84 GABBR2 (0.60) GABBR2GABBR1TYRO3AXLTLR7
SCHEMBL3111016 0.83 GABBR2 (0.74) GABBR2GABBR1TYRO3AXLADORA3
SCHEMBL3115529 0.80 GABBR2 (0.55) GABBR2GABBR1TYRO3AXLTLR7
SCHEMBL3113561 0.78 GABBR2 (0.56) GABBR2GABBR1TYRO3AXLADORA3
SCHEMBL3109197 0.77 GABBR2 (1.00) GABBR2GABBR1TYRO3AXLADORA3
SCHEMBL13248661 0.76 GABBR2 (0.72) GABBR2GABBR1TYRO3AXLTLR7
SCHEMBL3121907 0.75 GABBR2 (1.00) GABBR2GABBR1TYRO3AXLMERTK
Hydrochloric Acid SCHEMBL3119417 0.75 GABBR2 (0.70) GABBR2GABBR1TYRO3AXLTLR7
SCHEMBL3118358 0.74 GABBR2 (1.00) GABBR2GABBR1TYRO3AXLMERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 — — 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 GABBR2 1611/4885GABBR1 1499/4885TYRO3 1584/4885

“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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