SCHEMBL14791703

SCHEMBL14791703

C1=CCC(c2cc(-c3ccccc3)c(N3CCNCC3)nn2)C=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.43
▸ HTR1A P08908 5/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR5A P47898 1/20 0.43
▸ CSNK1D P48730 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL1753134 0.77 HTR7 (0.57) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL18346578 0.72 CSNK1D (0.60) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL19124979 0.71 HTR7 (0.55) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL1753176 0.66 CSNK1D (0.60) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL1752949 0.66 NPY5R (0.49) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL11815023 0.66 BRD4 (0.36) HTR2CALDH1A1BRD4
SCHEMBL20431317 0.65 MEN1 (0.40) HTR6HTR2CCYP1A2CYP3A4CYP2D6
SCHEMBL3319555 0.65 HTR7 (0.58) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL7261980 0.65 KDM4E (0.76) HTR7HTR1AHTR6HTR2AHTR5A
SCHEMBL11464180 0.64 KDM4E (0.40) CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072496-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2013-03-21 — — 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-20130072496-A1 FORMULATIONS CONTAINING PYRIDAZINE COMPOUNDS TST, SRMS, STS HTR7 297/4885HTR1A 1121/4885HTR6 569/4885

“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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