SCHEMBL7759529

SCHEMBL7759529

CC1CC(C)(C)c2ccccc2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.44
CREBBP Q92793 3/20 0.44
EP300 Q09472 1/20 0.44
PDK2 Q15119 1/20 0.37
PDK4 Q16654 1/20 0.37
HTR2C P28335 1/20 0.36
BRPF1 P55201 1/20 0.36
RAB9A P51151 1/20 0.36
SUV39H1 O43463 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
KDM1A O60341 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR5A P47898 1/20 0.34
CNR1 P21554 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7631876 0.79 KDM1A (0.41) PDK2PDK4HTR2CSUV39H1EHMT2
SCHEMBL27473432 0.79 BRD4 (0.40) BRD4CREBBPEP300PDK2PDK4
SCHEMBL28145059 0.75 PDK2 (0.37) BRD4CREBBPEP300PDK2PDK4
SCHEMBL11378799 0.73 CREBBP (0.49) BRD4CREBBPEP300BRPF1RAB9A
SCHEMBL12465642 0.72 CREBBP (0.38) BRD4CREBBPEP300PDK2PDK4
SCHEMBL4961191 0.72 HTR2A (0.36) RAB9AKDM1AALDH1A1HTR5A
SCHEMBL6770129 0.71 PGR (0.61)
SCHEMBL1316216 0.69 PDK2 (0.41) BRD4CREBBPEP300PDK2PDK4
SCHEMBL12629401 0.69 PDK2 (0.41) BRD4CREBBPEP300PDK2PDK4
Iodide SCHEMBL7543439 0.68 PDK2 (0.39) BRD4CREBBPEP300PDK2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667562-B1 Charge injection barrier for positive charging organic photoconductor HEWLETT PACKARD CO (US) 2001-03-21 EP claimed
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2020-09-10 US disclosed
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2019-03-07 US disclosed
US-10118926-B2 Tricyclic quinoline and quinoxaline derivatives AbbVie Deutschland GmbH & Co. KG (DE) 2018-11-06 US disclosed
EP-2895485-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2015-07-22 EP disclosed
WO-2014041131-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 WO disclosed
US-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-20 US disclosed
US-5644023-A CATALYTIC POLYMERIZATION OF OLEFINS WITH CARBON MONOXIDE, REACTING A TRANSITION METAL ADSORBED ON A SUPPORT WITH AN OXIDANT AND LIGATING THE SUPPORT AND REOXIDATION INTO POSITIVE VALENCE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-07-01 US disclosed
EP-0698641-A1 Cationic 1,3,4-thiadiazole dyes BAYER AG (DE) 1996-02-28 EP disclosed
EP-0285782-B1 DRY TONERS CONTAINING METHINE FANAL PIGMENTS BAYER AG (DE) 1991-09-25 EP disclosed
US-4849306-A Dry toners containing methinefanal pigments BAYER AKTIENGESELLSCHAFT (DE) 1989-07-18 US disclosed
EP-0285782-A1 Dry toners containing methine fanal pigments BAYER AG (DE) 1988-10-12 EP disclosed
US-4144178-A HEAT RESISTANCE KAO SOAP CO., LTD. (JP) 1979-03-13 US disclosed
US-3997597-A ANTIOXIDANTS FOR LUBRICANTS AND GREASES MOBIL OIL CORPORATION (US) 1976-12-14 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 (4 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-20140080816-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A BRD4 624/4885CREBBP 3991/4885EP300 2835/4885
US-20200283439-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A BRD4 624/4885CREBBP 3991/4885EP300 2835/4885
US-10118926-B2 Tricyclic quinoline and quinoxaline derivatives HTR2C, HTR2A, HTR5A BRD4 624/4885CREBBP 3991/4885EP300 2835/4885
US-20190071443-A1 TRICYCLIC QUINOLINE AND QUINOXALINE DERIVATIVES HTR2C, HTR2A, HTR5A BRD4 624/4885CREBBP 3991/4885EP300 2835/4885

“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.