SCHEMBL2708549

SCHEMBL2708549

Cc1ncc(Cc2cnc(C)[nH]2)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.67
▸ HRH1 P35367 1/20 0.67
▸ FDPS P14324 1/20 0.50
▸ BAZ2B Q9UIF8 1/20 0.41
▸ AOC3 Q16853 1/20 0.38
▸ CYP2A6 P11509 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CAPN1 P07384 1/20 0.34
▸ ADORA2B P29275 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HTR1B P28222 1/20 0.30
▸ MTOR P42345 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
SCHEMBL889370 0.84 — —
SCHEMBL2626827 0.83 AOC3 (0.62) HRH4HRH1FDPSAOC3TSHR
SCHEMBL20939170 0.83 HRH3 (0.52) HRH4HRH1TSHRALDH1A1MEN1
SCHEMBL889085 0.82 — —
SCHEMBL889023 0.82 — —
SCHEMBL906338 0.82 — —
SCHEMBL1035880 0.80 — —
2-Methylhistamine SCHEMBL889086 0.80 — —
Hydrochloric Acid SCHEMBL3583087 0.80 — —
SCHEMBL889061 0.80 — —

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-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — 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-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 HRH4 4195/4885HRH1 3197/4885FDPS 1003/4885

“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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