SCHEMBL12224916

SCHEMBL12224916

Cc1nc2c3cc(Br)c(F)cc3nc(N3CCNCC3)n2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.52
▸ HTR6 P50406 1/20 0.38
▸ SOS1 Q07889 11/20 0.38
▸ CCNC P24863 2/20 0.35
▸ CDK8 P49336 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ HAVCR2 Q8TDQ0 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
SCHEMBL406083 0.90 HRH4 (0.56) HRH4HTR6SOS1THRB
SCHEMBL404682 0.88 HRH4 (0.54) HRH4HTR6SOS1
SCHEMBL12224915 0.87 HRH4 (0.51) HRH4SOS1THRB
SCHEMBL405989 0.86 HRH4 (0.57) HRH4HTR6SOS1
SCHEMBL406287 0.86 HRH4 (0.54) HRH4HTR6SOS1
SCHEMBL462918 0.84 HRH4 (0.50) HRH4HTR6SOS1
Hydrochloric Acid SCHEMBL438156 0.83 HRH4 (0.49) HRH4HTR6SOS1
SCHEMBL462902 0.82 HRH4 (0.50) HRH4HTR6SOS1
SCHEMBL12224888 0.81 HRH4 (0.38) HRH4SOS1CCNCCDK8
SCHEMBL404754 0.81 HRH4 (0.54) HRH4HTR6SOS1THRB

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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 — — 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR6 111/4885SOS1 3564/4885

“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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