SCHEMBL445029

SCHEMBL445029

c1ccc2cc3cnccc3cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.52
CSNK1D P48730 1/20 0.52
CSNK1E P49674 1/20 0.52
DYRK1A Q13627 1/20 0.52
HASPIN Q8TF76 5/20 0.49
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PRKCZ Q05513 1/20 0.45
TNF P01375 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
RAD52 P43351 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
Methane SCHEMBL29190811 0.97 CLK1 (0.50) CLK1CSNK1DCSNK1EDYRK1AHASPIN
SCHEMBL13156540 0.97 CLK1 (0.50) CLK1CSNK1DCSNK1EDYRK1AHASPIN
Charcoal, Activated SCHEMBL30641848 0.97 CLK1 (0.50) CLK1CSNK1DCSNK1EDYRK1AHASPIN
SCHEMBL1512981 0.97 CLK1 (0.50) CLK1CSNK1DCSNK1EDYRK1AHASPIN
Anthracene SCHEMBL29011110 0.92 CYP19A1 (0.50) CLK1CSNK1DCSNK1EDYRK1AHASPIN
SCHEMBL4036768 0.92 CLK1 (0.57) CLK1CSNK1DCSNK1EDYRK1AHASPIN
SCHEMBL445516 0.92 CLK1 (0.57) CLK1CSNK1DCSNK1EDYRK1AHASPIN
SCHEMBL13156508 0.89 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1AHASPIN
SCHEMBL13156496 0.89 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1AHASPIN
SCHEMBL13156497 0.89 CLK1 (0.55) CLK1CSNK1DCSNK1EDYRK1AHASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9207234-B2 Thermally stable SERS taggants SICPA HOLDING SA (CH) 2015-12-08 US claimed
EP-2433121-A1 THERMALLY STABLE SERS TAGGANTS Cabot Security Materials Inc. (US) 2012-03-28 EP claimed
US-20120062886-A1 Thermally Stable SERS Taggants CABOT SECURITY MATERIALS INC. (US) 2012-03-15 US claimed
WO-2010135351-A1 THERMALLY STABLE SERS TAGGANTS OXONICA MATERIALS INC. (US) 2010-11-25 WO claimed
EP-1465488-A4 ARYLAMINES AS INHIBITORS OF CHEMOKINE BINDING TO US28 CHEMOCENTRYX INC (US) 2007-04-18 EP claimed
EP-1465488-A1 ARYLAMINES AS INHIBITORS OF CHEMOKINE BINDING TO US28 ChemoCentryx Inc (US) 2004-10-13 EP claimed
US-20030114423-A1 Arylamines as inhibitors of chemokine binding to US28 CHEMOCENTRYX, INC. 2003-06-19 US claimed
WO-2003020029-A1 ARYLAMINES AS INHIBITORS OF CHEMOKINE BINDING TO US28 CHEMOCENTRYX, INC. (US) 2003-03-13 WO claimed
US-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2003-03-06 US claimed
US-6472100-B1 CATHODE CONTAINS OXYHYDROXIDE OF NICKEL AND ALUMINUM, MAY FURTHER CONTAIN OXYHYDROXIDE OF COBALT; IMPROVEMENT IN CYCLE LIFE; ELECTROLYTE CONTAINING HETEROCYCLIC COMPOUND CONTAINING NITROGEN HAVING LONE PAIR; PYRIDINE, PYRAZINE, PYRIDAZINE, JAPAN STORAGE BATTERY CO., LTD. (JP) 2002-10-29 US claimed
WO-2001017997-A1 SUBSTITUTED DIAZAANTHRACENE COMPOUNDS HAVING PHARMACEUTICAL UTILITY DIAZANS LIMITED (CA) 2001-03-15 WO claimed
US-4937292-A Photosensitizer Solavchem Enterprises Inc. 1990-06-26 US claimed
EP-0252740-A1 Photosensitizer SOLARCHEM RESEARCH, A DIVISION OF BROLOR INVESTMENTS LIMITED (CA) 1988-01-13 EP claimed
EP-4389741-A1 CYCLIC PEROXIDE, OXIDATION REACTION PRODUCT, METHOD FOR PRODUCING OXIDATION REACTION PRODUCT, AND APPLICATIONS OF THESE Mediplus Pharma, Inc. (JP) 2024-06-26 EP disclosed
CN-116924986-B Nitrogen-containing heterocycle functional layer material, preparation method and application 山东千铄新材料有限公司 2024-04-09 CN disclosed
CN-117836283-A Cyclic peroxides, oxidation reaction products, method for producing oxidation reaction products, and use thereof 株式会社美乐思制药 2024-04-05 CN disclosed
US-4937292-A Photosensitizer Solavchem Enterprises Inc. 1990-06-26 US disclosed
EP-0252740-A1 Photosensitizer SOLARCHEM RESEARCH, A DIVISION OF BROLOR INVESTMENTS LIMITED (CA) 1988-01-13 EP disclosed
US-4150136-A ANTIDEPRESSANTS, ANALGESICS SANDOZ LTD. (CH) 1979-04-17 US disclosed
US-4150136-A ANTIDEPRESSANTS, ANALGESICS SANDOZ LTD. (CH) 1979-04-17 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 (2 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-20030114423-A1 Arylamines as inhibitors of chemokine binding to US28 CCL2, CCR8, CCL5 CLK1 3320/4885CSNK1D 1629/4885CSNK1E 1693/4885
US-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation AOX1, ALDH5A1, AOC2 CLK1 2084/4885CSNK1D 2509/4885CSNK1E 2866/4885

“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.