SCHEMBL1091995

SCHEMBL1091995

CC1=C(C)c2ccccc2[N]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.34
CDC25B P30305 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CDC25A P30304 1/20 0.32
ELANE P08246 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
MAOB P27338 1/20 0.31
TSHR P16473 1/20 0.30
ACHE P22303 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5602684 0.73 TP53 (0.36) CDC25BNPC1RAB9ASMN1; SMN2CDC25A
SCHEMBL24062 0.72 MEN1 (0.37) CDC25BKMT2AMEN1NPC1RAB9A
SCHEMBL5602645 0.72 HSD11B1 (0.38) HSD11B1TSHRALDH1A1
SCHEMBL5602637 0.72 HSD11B1 (0.38) HSD11B1TSHRALDH1A1
SCHEMBL5601846 0.70 NPC1 (0.37) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5603060 0.70 CYP2D6 (0.31) KMT2AMEN1
SCHEMBL3229173 0.69 FGFR1 (0.41) KMT2AMEN1TSHRACHEALDH1A1
SCHEMBL5602984 0.69 CALM1 (0.39) NPC1RAB9ASMN1; SMN2MAOBTSHR
SCHEMBL1750489 0.69 MEN1 (0.58) CDC25BKMT2AMEN1NPC1RAB9A
SCHEMBL5601866 0.68 PTPN1 (0.34) CDC25BKMT2AMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150141410-A1 GPR17 Receptor Modulators UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2015-05-21 US claimed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
US-20230339916-A1 PLANT GROWTH REGULATOR COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2023-10-26 US disclosed
EP-4208458-A1 PLANT GROWTH REGULATOR COMPOUNDS Syngenta Crop Protection AG (CH) 2023-07-12 EP disclosed
CN-116157015-A Plant growth regulator compounds 先正达农作物保护股份公司 2023-05-23 CN disclosed
EP-2850068-B1 N-(phenyl)-2-[[3-(phenyl)-1H-1,2,4-triazol-5-yl]thio]-acetamide derivatives and related compounds as G protein coupled receptor 17 (GPCR17) modulators for use in the treatment of neuro-degenerative diseases UNIV DEGLI STUDI MILANO (IT) 2019-05-29 EP disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 EP disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
WO-2005013914-A2 HETEROARYLAMINOSULFONYLPHENYL DERIVATIVES FOR USE AS SODIUM OR CALCIUM CHANNEL BLOCKERS IN THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 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 (5 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-20230339916-A1 PLANT GROWTH REGULATOR COMPOUNDS MYB, TOE1, SUB1 HSD11B1 964/4885CDC25B 41/4885KMT2A 1908/4885
US-20150141410-A1 GPR17 Receptor Modulators GPR65, GPR27, GPR17 HSD11B1 1451/4885CDC25B 4790/4885KMT2A 3467/4885
US-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 HSD11B1 456/4885CDC25B 3680/4885KMT2A 2992/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 HSD11B1 259/4885CDC25B 3694/4885KMT2A 2888/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 HSD11B1 456/4885CDC25B 3680/4885KMT2A 2992/4885

“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.