SCHEMBL13619336

SCHEMBL13619336

CNc1nccc(N2CCNCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.66
HRH3 Q9Y5N1 4/20 0.60
CYP1A2 P05177 3/20 0.49
HSD17B10 Q99714 2/20 0.49
PLD1 Q13393 1/20 0.47
CYP2C9 P11712 1/20 0.46
CXCR4 P61073 1/20 0.46
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
ADRB1 P08588 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44

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
Hydrochloric Acid SCHEMBL26599748 0.98 HRH4 (0.64) HRH4HRH3CYP1A2HSD17B10PLD1
Hydrochloric Acid SCHEMBL30619112 0.98 HRH4 (0.64) HRH4HRH3CYP1A2HSD17B10PLD1
Tert-Butyl Formate SCHEMBL28866007 0.86 HRH4 (0.58) HRH4HRH3CYP1A2HSD17B10CYP2C9
SCHEMBL859700 0.83 HRH4 (0.72) HRH4HRH3CYP1A2HSD17B10PLD1
SCHEMBL29935697 0.83 HRH4 (0.72) HRH4HRH3CYP1A2HSD17B10PLD1
SCHEMBL15360086 0.82 HRH4 (0.70) HRH4HRH3CYP1A2HSD17B10ALDH1A1
SCHEMBL19233161 0.82 HRH4 (0.67) HRH4HRH3CYP1A2HSD17B10PLD1
SCHEMBL1588677 0.80 HRH4 (0.67) HRH4HRH3CXCR4
SCHEMBL846581 0.80 HRH4 (0.74) HRH4HRH3CXCR4HTR2CHTR7
SCHEMBL1588650 0.80 HRH4 (1.00) HRH4HRH3CXCR4HTR2CHTR7

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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
WO-2009143389-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2009-11-26 WO 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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 HRH4 4558/4885HRH3 4494/4885CYP1A2 935/4885

“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.