SCHEMBL231430

SCHEMBL231430

CCOC(=O)C1=C(C)Nc2nc(NC(=O)C(F)(F)F)nn2C1c1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
TSHR P16473 2/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
ADORA2B P29275 2/20 0.40
ELANE P08246 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
SCHEMBL15456785 0.88 MAPT (0.42) HSD17B10POLBALDH1A1KDM4EMEN1
SCHEMBL14632151 0.88 MAPT (0.42) HSD17B10TSHRPOLBALDH1A1KDM4E
SCHEMBL2742310 0.83 TSHR (0.67) HSD17B10TSHRPOLBALDH1A1KDM4E
SCHEMBL2742309 0.83 TSHR (0.57) HSD17B10TSHRPOLBALDH1A1KDM4E
SCHEMBL231034 0.82 ALDH1A1 (0.55) HSD17B10TSHRPOLBALDH1A1KDM4E
SCHEMBL12329664 0.82 ALDH1A1 (0.55) HSD17B10TSHRPOLBALDH1A1KDM4E
SCHEMBL2742308 0.81 ALDH1A1 (0.59) HSD17B10TSHRPOLBALDH1A1KDM4E
SCHEMBL14937791 0.77 ALDH1A1 (0.51) HSD17B10TSHRPOLBALDH1A1KDM4E
SCHEMBL231558 0.76 ELANE (0.66) ELANE
SCHEMBL14937838 0.76 ALDH1A1 (0.50) HSD17B10TSHRPOLBALDH1A1KDM4E

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
US-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2021-04-29 US claimed
EP-3672960-A2 COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES Acadia Pharmaceuticals Inc. (US) 2020-07-01 EP claimed
WO-2019040104-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO claimed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US claimed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US claimed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN claimed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP claimed
US-6030978-A EXHIBIT FUNGICIDAL EFFECT OR GROWTH-INHIBITORY EFFECT AGAINST FUNGI INCLUDING CUTANEOUS FILAMENTOUS FUNGUS, SUCH AS EPIDERMOPHYTON, MICROSPORUM, TRICHOPHYTON, SPOROTHRIX SCHENCKII, ASPERGILLUS OR CANDIDA; NONTOXICITY; HANWHA CORPORATION (KR) 2000-02-29 US claimed
US-6008356-A BRBERINE SALT DERIVATIVE IS REACTED WITH SODIUM TETRABORATE AND POTASSIUM CARBONATE IN ALCOHOL SOLVEANT TO FORM INTERMEDIATE, REACTING INTERMEDIATE WITH ALKYL SUBSTITUENT IN ACETONITRILE SOLVENT, OXIDIZING THE FORMED INTERMEDIATE HANWHA CORPORATION (KR) 1999-12-28 US claimed
US-5998468-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; ANTICANCER AGENTS WARNER-LAMBERT COMPANY (US) 1999-12-07 US claimed
US-5922759-A Butenolide endothelin antagonists WARNER-LAMBERT COMPANY (US) 1999-07-13 US claimed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 US claimed
WO-1997037986-A1 ENDOTHELIN ANTAGONISTS WITH ETHER-LINKED GROUPS WARNER-LAMBERT COMPANY (US) 1997-10-16 WO claimed
WO-1997008169-A1 FURANONE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-03-06 WO claimed
WO-1997002265-A1 BUTENOLIDE ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-01-23 WO claimed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP claimed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 WO claimed
US-4895586-A PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1990-01-23 US claimed
EP-4211146-A1 SYNTHETIC CYCLIC PEPTIDE MIMETICS Bar Ilan University (IL) 2023-07-19 EP disclosed
US-4105668-A 6-AMINO-2,2-DIMETHYL-3-(1 -SUBSTITUTED TETRAZOL-5-YL)PENAM COMPOUND REACTED WITH HYDROGEN FLUORIDE PFIZER INC. (US) 1978-08-08 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-20210122713-A1 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES SLC10A1, VHL, CYP11B2 HSD17B10 382/4885TSHR 2043/4885POLB 1110/4885
US-20020198376-A1 Novel urea derivatives TNF, CTH, CFH HSD17B10 1909/4885TSHR 580/4885POLB 2155/4885

“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.