SCHEMBL754037

SCHEMBL754037

COc1cccc2c(C#N)nccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.50
IMPDH2 P12268 1/20 0.49
IMPDH1 P20839 1/20 0.49
CACNA2D1 P54289 2/20 0.48
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGDS O60760 1/20 0.41
CLK1 P49759 2/20 0.40
CLK2 P49760 2/20 0.40
DYRK1A Q13627 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CLK3 P49761 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL9849177 0.80 CACNA2D1 (0.43) PLAUCACNA2D1KDM4EALDH1A1POLB
SCHEMBL13723931 0.77 CYP1A2 (0.48) CACNA2D1HTR1AADRA1DADRA1AADRA1B
SCHEMBL9849182 0.77 CACNA2D1 (0.42) PLAUCACNA2D1KDM4EALDH1A1POLB
SCHEMBL3179011 0.77 PLCG1 (0.47) PLAUIMPDH2IMPDH1HTR1AKDM4E
SCHEMBL18368394 0.77 CACNA2D1 (0.43) CACNA2D1KDM4EALDH1A1POLBKMT2A
Hydrochloric Acid SCHEMBL30209361 0.75 PLCG1 (0.46) PLAUIMPDH2IMPDH1HTR1AALDH1A1
SCHEMBL8272297 0.75 PLAU (0.55) PLAUHTR1AADRA1DADRA1AADRA1B
SCHEMBL14026746 0.75 PLAU (0.55) PLAUHTR1AADRA1DADRA1AADRA1B
SCHEMBL24277439 0.74 HASPIN (0.42) CACNA2D1KDM4EALDH1A1HPGDSCLK1
SCHEMBL29445044 0.74 HASPIN (0.42) CACNA2D1KDM4EALDH1A1HPGDSCLK1

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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754631-B Heteroaryl method of indole 中国科学院理化技术研究所 2022-08-30 CN disclosed
CN-113754631-A Heteroaryl method of indole 中国科学院理化技术研究所 2021-12-07 CN disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202483-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-4847264-A ANTIULCER AGENTS, ANTISECRETORY AGENTS RORER PHARMACEUTICAL CORPORATION (US) 1989-07-11 US disclosed
US-4632927-A ANTISECRETORY, ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1986-12-30 US disclosed
EP-0113782-A4 BICYCLIC NITROGEN HETEROCYCLIC ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES. RORER INTERNAT OVERSEAS INC (US) 1986-03-18 EP disclosed
EP-0113782-A1 BICYCLIC NITROGEN HETEROCYCLIC ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1984-07-25 EP disclosed
WO-1984000544-A1 BICYCLIC NITROGEN HETEROCYCLIC ETHERS AND THIOETHERS, AND THEIR PHARMACEUTICAL USES RORER INT OVERSEAS (US) 1984-02-16 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL PLAU 1956/4885IMPDH2 1076/4885IMPDH1 928/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PLAU 1814/4885IMPDH2 1225/4885IMPDH1 1069/4885
US-20090202483-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS PLAU 1814/4885IMPDH2 1225/4885IMPDH1 1069/4885

“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.