SCHEMBL3394014

SCHEMBL3394014

c1cc(C2=NCCN2)c(C2=NCCN2)c(C2=NCCN2)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 15/20 0.65
PDCD1LG2 Q9BQ51 1/20 0.50
CD274 Q9NZQ7 1/20 0.50

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
SCHEMBL9579892 0.86 NISCH (0.81) NISCH
SCHEMBL4065073 0.82 NISCH (0.55) NISCH
SCHEMBL9575177 0.79 NISCH (1.00) NISCH
SCHEMBL18824537 0.79 NISCH (0.74) NISCHPDCD1LG2CD274
SCHEMBL16863098 0.78 NISCH (0.76) NISCH
SCHEMBL2949149 0.78 NISCH (0.62) NISCH
SCHEMBL1882130 0.78 NISCH (0.62) NISCH
SCHEMBL1626317 0.78 NISCH (1.00) NISCH
SCHEMBL4818139 0.78 NISCH (0.62) NISCHPDCD1LG2CD274
SCHEMBL4066263 0.78 NISCH (0.62) NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716472-B2 Tripodal cyclohexane derivatives and their use as carbohydrate receptors UNIVERSITY OF ROCHESTER (US) 2014-05-06 US disclosed
US-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2010-02-18 US disclosed
WO-2008048967-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2008-04-24 WO disclosed
EP-1017735-B1 COMPOUNDS FOR ELECTRONIC DEVICES CAMBRIDGE DISPLAY TECH LTD (GB) 2003-11-19 EP disclosed
US-6626566-B2 Comprising at least two moieties, each moiety being comprised of two or more thiophenes fused directly to each other; used to fabricate thin-film transistors (TFTs) or field-effect transistors (FETs). CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2003-09-30 US disclosed
US-20030088112-A1 Compounds for electronic devices CAMBRIDGE DISPLAY TECHONOLOGY LIMITED 2003-05-08 US disclosed
US-6403809-B1 FUSED THIOPHENE OLIGOMERS OR POLYMERS FOR LIGHT-EMITTING DIODES OR THIN FILM TRANSISTORS CAMBRIDGE DISPLAY TECHNOLOG LIMITED (GB) 2002-06-11 US disclosed
EP-1017735-A1 COMPOUNDS FOR ELECTRONIC DEVICES Cambridge Display Technology Limited (GB) 2000-07-12 EP disclosed
WO-1999012989-A1 COMPOUNDS FOR ELECTRONIC DEVICES CAMBRIDGE DISPLAY TECHNOLOGY LTD. (GB) 1999-03-18 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 (2 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-20030088112-A1 Compounds for electronic devices TERT, TST, DDT NISCH 110/4885PDCD1LG2 1982/4885CD274 1426/4885
US-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS CA14, HCAR1, CCKAR NISCH 762/4885PDCD1LG2 1450/4885CD274 2197/4885

“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.