SCHEMBL313001

SCHEMBL313001

CC(=O)c1ccc(C)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.51
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ADCY8 P40145 2/20 0.44
ADCY1 Q08828 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
CYP2A6 P11509 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
S100A4 P26447 1/20 0.41
PDK2 Q15119 1/20 0.41

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
SCHEMBL31085070 1.00 KIF11 (0.51) KIF11AKR1C3AKR1C2NPC1MAPT
SCHEMBL27803229 0.86 HTT (0.48) KIF11NPC1MAPTHTTRAB9A
SCHEMBL29528380 0.85 TAS2R14 (0.50) MEN1KMT2AADCY8ADCY1GPBAR1
SCHEMBL374174 0.85 TAS2R14 (0.50) MEN1KMT2AADCY8ADCY1GPBAR1
SCHEMBL312657 0.85 KIF11 (0.56) KIF11AKR1C3AKR1C2NPC1MAPT
SCHEMBL1925084 0.84 KIF11 (0.59) KIF11AKR1C3AKR1C2NPC1MAPT
SCHEMBL16957525 0.84 ADCY8 (0.40) KIF11NPC1MAPTHTTRAB9A
SCHEMBL29561577 0.83 PARP1 (0.44) NPC1MAPTHTTRAB9ANPSR1
SCHEMBL15314434 0.83 ADCY8 (0.43) KIF11NPC1MAPTHTTRAB9A
SCHEMBL2891169 0.83 ADCY8 (0.43) KIF11NPC1MAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-10-13 US disclosed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 EP disclosed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 CN disclosed
US-9951060-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2018-04-24 US disclosed
US-20170290824-A1 2-AMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2017-10-12 US disclosed
US-20170197955-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2017-07-13 US disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-10-06 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-27 US disclosed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US disclosed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 WO disclosed
EP-1670801-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2006-06-21 EP disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US disclosed
US-20050130992-A1 Pyrazolo-pyridine F. HOFFMANN-LA ROCHE AG (CH) 2005-06-16 US disclosed
WO-2005040171-A1 PYRAZOLO AND IMIDAZO-PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (9 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-20220324865-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES QDPR, SIRT5, PDXK KIF11 4211/4885AKR1C3 1075/4885AKR1C2 1153/4885
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 KIF11 2508/4885AKR1C3 767/4885AKR1C2 960/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 KIF11 2531/4885AKR1C3 171/4885AKR1C2 689/4885
US-20050130992-A1 Pyrazolo-pyridine CHRM2, CHRM1, QDPR KIF11 3351/4885AKR1C3 251/4885AKR1C2 443/4885
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT KIF11 4207/4885AKR1C3 2081/4885AKR1C2 1959/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 KIF11 2437/4885AKR1C3 949/4885AKR1C2 1167/4885
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND HIF1AN, EGLN2, EGLN3 KIF11 3774/4885AKR1C3 1349/4885AKR1C2 662/4885
US-20170197955-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, TRPM2 KIF11 2432/4885AKR1C3 1123/4885AKR1C2 1266/4885
US-20170290824-A1 2-AMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, TRPM2 KIF11 2473/4885AKR1C3 1484/4885AKR1C2 1580/4885

“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.