SCHEMBL3121498

SCHEMBL3121498

Cc1ccc(-c2cnc(C(F)(F)F)nc2NC2CCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 7/20 0.67
▸ GABBR1 Q9UBS5 7/20 0.67
▸ TLR7 Q9NYK1 3/20 0.47
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ AXL P30530 4/20 0.43
▸ MERTK Q12866 4/20 0.42
▸ TYRO3 Q06418 3/20 0.42
▸ ULK1 O75385 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ MALT1 Q9UDY8 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
SCHEMBL3118196 0.87 GABBR2 (0.62) GABBR2GABBR1TLR7ADORA3ADORA2A
SCHEMBL3123882 0.87 GABBR2 (0.60) GABBR2GABBR1TLR7AXLMERTK
SCHEMBL3113561 0.86 GABBR2 (0.56) GABBR2GABBR1TLR7ADORA3ADORA2A
SCHEMBL3115529 0.83 GABBR2 (0.55) GABBR2GABBR1TLR7AXLMERTK
SCHEMBL3116087 0.83 GABBR2 (0.74) GABBR2GABBR1ADORA3ADORA2AADORA1
SCHEMBL13248661 0.81 GABBR2 (0.72) GABBR2GABBR1TLR7AXLMERTK
Hydrochloric Acid SCHEMBL3119417 0.80 GABBR2 (0.70) GABBR2GABBR1TLR7AXLMERTK
SCHEMBL3121907 0.80 GABBR2 (1.00) GABBR2GABBR1AXLMERTKTYRO3
SCHEMBL3118358 0.79 GABBR2 (1.00) GABBR2GABBR1AXLMERTKTYRO3
SCHEMBL3111419 0.79 GABBR2 (1.00) GABBR2GABBR1AXLMERTKTYRO3

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 1499/4885TLR7 917/4885

“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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