SCHEMBL17173455

SCHEMBL17173455

Cc1cc(C#N)ccc1N1c2ccccc2N(c2ccc(C#N)cc2)[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.40
▸ BRD4 O60885 2/20 0.36
▸ TDP2 O95551 4/20 0.34
▸ AR P10275 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL17169539 0.85 HTR7 (0.40) HTR7BRD4ARALDH1A1CASP3
SCHEMBL24714559 0.84 HTR7 (0.41) HTR7ARALDH1A1CASP3EGLN2
SCHEMBL17169606 0.84 HTR7 (0.41) HTR7ARALDH1A1CASP3EGLN2
SCHEMBL18088253 0.82 BRD4 (0.36) BRD4TDP2ARALDH1A1CYP2A6
SCHEMBL17169534 0.81 HTR7 (0.39) HTR7BRD4ARALDH1A1CASP3
SCHEMBL17169535 0.81 HTR7 (0.37) HTR7BRD4ARALDH1A1EGLN2
SCHEMBL17169578 0.80 HTR7 (0.36) HTR7ALDH1A1EGLN2
SCHEMBL17169538 0.78 FADS1 (0.40) TDP2ALDH1A1TSHR
SCHEMBL17169533 0.78 HTR7 (0.39) HTR7ARALDH1A1MEN1
SCHEMBL20881602 0.78 HTT (0.38) HTR7ALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9911928-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 — — US disclosed
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 — — US disclosed
US-20160276603-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-22 — — US disclosed
US-20150295189-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-10-15 — — 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-20160276603-A1 Organic Electroluminescent Materials and Devices EML4, BICRA, TBCB HTR7 1804/4885BRD4 9/4885TDP2 3418/4885

“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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