SCHEMBL13828017

SCHEMBL13828017

Cc1ccc2c(c1)[nH]c1cc3c(cc12)[nH]c1cc(C)ccc13

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.72
RXFP1 Q9HBX9 1/20 0.55
AHR P35869 1/20 0.52
ACHE P22303 2/20 0.47
PIM3 Q86V86 1/20 0.46
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42

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
SCHEMBL4256780 0.95 KIF11 (0.78) KIF11RXFP1AHRACHEPIM3
SCHEMBL29518339 0.95 KIF11 (0.78) KIF11RXFP1AHRACHEPIM3
SCHEMBL29726991 0.91 KIF11 (0.75) KIF11RXFP1AHRACHEMAPT
SCHEMBL10141055 0.91 KIF11 (0.75) KIF11RXFP1AHRACHEMAPT
SCHEMBL19346259 0.89 KIF11 (0.92) KIF11AHRMAPTGABRPGABRD
SCHEMBL15985685 0.89 KIF11 (0.64) KIF11RXFP1AHRACHEPIM3
SCHEMBL13828021 0.85 KIF11 (0.62) KIF11RXFP1AHRACHEMAPT
SCHEMBL17226000 0.84 KIF11 (0.64) KIF11RXFP1AHRPIM3MITF
SCHEMBL18912229 0.84 KIF11 (0.64) KIF11RXFP1AHR
SCHEMBL607346 0.84 KIF11 (1.00) KIF11AHRMAPTGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400253-B1 DITHIOPHENETHIADIAZOLE SEMICONDUCTORS AND RELATED DEVICES FLEXTERRA INC (US) 2023-10-04 EP disclosed
US-20170237010-A1 Azinothiadiazole Compounds and Related Semiconductor Devices USINVEST LLC 2017-08-17 US disclosed
US-20170233384-A1 Thienothiadiazole Compounds and Related Semiconductor Devices USINVEST LLC 2017-08-17 US disclosed
US-9708346-B2 Semiconducting compounds and related devices FLEXTERRA, INC. (US) 2017-07-18 US disclosed
US-9711728-B1 Fused thiophene-based conjugated polymers and their use in optoelectronic devices NORTHWESTERN UNIVERSITY (US) 2017-07-18 US disclosed
US-9666805-B2 Bithiophene sulfonamide-based molecular and polymeric semiconductors NORTHWESTERN UNIVERSITY (US) 2017-05-30 US disclosed
US-20170110666-A1 Semiconducting Compounds and Related Devices USINVEST LLC 2017-04-20 US disclosed
US-20170104160-A1 ORGANIC SEMICONDUCTING COMPOUNDS AND RELATED OPTOELECTRONIC DEVICES USINVEST LLC 2017-04-13 US disclosed
US-20170096523-A1 Polymeric Semiconductors and Related Devices USINVEST LLC 2017-04-06 US disclosed
US-20160351815-A1 Phenazine-Based Molecular and Polymeric Semiconductors FLEXTERRA, INC. 2016-12-01 US disclosed
US-9178160-B1 Fused thiophene-based conjugated polymers and their use in optoelectronic devices NORTHWESTERN UNIVERSITY (US) 2015-11-03 US disclosed
WO-2012146574-A1 SEMICONDUCTOR MATERIALS BASED ON DIKETOPIPERIDINOPIPERIDINE COPOLYMERS BASF SE (DE) 2012-11-01 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 (3 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-20170104160-A1 ORGANIC SEMICONDUCTING COMPOUNDS AND RELATED OPTOELECTRONIC DEVICES AQP4, EPCAM, ORAI2 KIF11 1725/4885RXFP1 3482/4885AHR 2237/4885
US-20170110666-A1 Semiconducting Compounds and Related Devices EPCAM, CDH1, BMI1 KIF11 979/4885RXFP1 3516/4885AHR 660/4885
US-20170233384-A1 Thienothiadiazole Compounds and Related Semiconductor Devices TST, SLC19A2, TPST2 KIF11 1704/4885RXFP1 4877/4885AHR 455/4885

“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.