SCHEMBL7474298

SCHEMBL7474298

[c]1cccc2ccc3ccncc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.43
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAPK10 P53779 3/20 0.37
KDM4E B2RXH2 3/20 0.36
HTT P42858 3/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
HIPK2 Q9H2X6 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL17511941 0.85 KDM4E (0.47) KDM4EHTTLMNACYP1A2CYP3A4
SCHEMBL19971916 0.77 KDM4E (0.32) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL17511952 0.76 KDM4E (0.42) TNFCLK1DYRK1AMAPK10KDM4E
SCHEMBL25021 0.76 ALDH1A1 (0.50) POLBCYP1A2CYP3A4
SCHEMBL26487 0.76 CLK1 (0.40) TNFCLK1DYRK1AMAPK10KDM4E
SCHEMBL9276992 0.75 CYP2A6 (0.41) CYP1A2
SCHEMBL24270 0.75 MAPK10 (0.42) TNFCLK1DYRK1AMAPK10KDM4E
SCHEMBL25110 0.73 CLK1 (0.44) TNFCLK1DYRK1AMAPK10KDM4E
SCHEMBL18981 0.72 TNF (0.36) TNFKDM4EHTTPOLBRAD52
SCHEMBL1587165 0.72 ALDH1A1 (0.35) CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 US disclosed
EP-0703221-B1 5 alpha-reductase Inhibitors LILLY CO ELI (US) 2002-03-27 EP disclosed
US-6150375-A INHIBITORS OF BOTH OF THE HUMAN 5AR ISOZYMES; BENIGN PROSTATE HYPERPLASIA, MALE PATTERN BALDNESS, ACNE VULGARIS, SEBORRHEA, ANDROGENIC ALOPECIA, HIRSUTISM AND PROSTATE CANCER; BLOCKS THE CONVERSION OF TESTOSTERONE TO 5-ALPHA-DIHYDROTESTOSTERONE ELI LILLY AND COMPANY (US) 2000-11-21 US disclosed
US-5670514-A BENZOQUINOLIN-3-ONE ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5635197-A BENZO(F)QUINOLIN-3-ONES; ANTICARCINOGENIC AGENTS; BONE DISORDERS ELI LILLY AND COMPANY (US) 1997-06-03 US disclosed
US-5629007-A USING BENZOQUINOLIN-3-ONE DERIVATIVES ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
US-5622961-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5622962-A PROSTATE CANCER, SKIN DISORDERS, BALDNESS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5578724-A INHIBITORS OF 5-ALPHA-REDUCTASE ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
WO-1996035422-A1 METHODS FOR INHIBITING BONE LOSS ELI LILLY AND COMPANY (US) 1996-11-14 WO disclosed
EP-0742010-A2 Benzoquinolin-3-ones to inhibit bone loss ELI LILLY AND COMPANY (US) 1996-11-13 EP disclosed
EP-0733365-A2 Use of benzoquinolin-3-ones for the treatment and prevention of prostatic cancer ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
EP-0703221-A1 5 alpha-reductase Inhibitors ELI LILLY AND COMPANY (US) 1996-03-27 EP 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 TNF 4572/4885CLK1 3695/4885DYRK1A 4481/4885

“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.