SCHEMBL13325635

SCHEMBL13325635

Cc1nnn(-c2ccccc2)c1-c1ccccc1N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.44
TDO2 P48775 4/20 0.44
KCNN4 O15554 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.39
DCTPP1 Q9H773 2/20 0.38
DHODH Q02127 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL13325646 0.81 DCTPP1 (0.51) IDO1TDO2BRD4BRD2BRD3
SCHEMBL13325757 0.78 IDO1 (0.39) IDO1TDO2KCNN4HTTDCTPP1
SCHEMBL13325640 0.76 ALDH1A1 (0.48) IDO1TDO2KCNN4BRD4BRD2
SCHEMBL13325639 0.76 IDO1 (0.48) IDO1TDO2BRD4BRD2BRD3
SCHEMBL11530601 0.75 CYP1A2 (0.50) IDO1TDO2BRD4BRD2BRD3
SCHEMBL435000 0.69 HTT (0.59) HTTDCTPP1MEN1KMT2ASMN1; SMN2
SCHEMBL8573164 0.68 GPBAR1 (0.45) IDO1TDO2HTTDHODHMEN1
SCHEMBL13325643 0.67 FGFR1 (0.46) HIF1AHTTDHODHMEN1KMT2A
SCHEMBL16283155 0.66 IDO1 (0.64) IDO1TDO2DCTPP1DHODHSMN1; SMN2
SCHEMBL14551970 0.66 IDO1 (0.64) IDO1TDO2DCTPP1DHODHSMN1; SMN2

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-7709655-B2 Clickphosphines for transition metal-catalyzed reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-04 US disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 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-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK IDO1 2304/4885TDO2 2237/4885KCNN4 2461/4885

“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.