SCHEMBL91369

SCHEMBL91369

N#Cc1ccc2[nH]cc(I)c2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.49
HTR6 P50406 2/20 0.49
IDO1 P14902 1/20 0.47
MAP3K14 Q99558 1/20 0.47
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
HTR1A P08908 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A3 Q01959 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
SCHEMBL6039798 0.85 IDO1 (0.47) SLC6A4HTR6IDO1IMPDH2IMPDH1
SCHEMBL13323651 0.81 HTR6 (0.63) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL20846147 0.80 HTR6 (0.52) SLC6A4HTR6MAP3K14SLC6A2SLC6A3
SCHEMBL401146 0.78 DRD2 (0.49) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL22359655 0.78 SLC6A4 (0.49) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL14142175 0.78 AR (0.51) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL733659 0.78 SLC6A4 (0.52) SLC6A4HTR6IDO1HTR1ADRD1
SCHEMBL3627983 0.78 MAP3K14 (0.54) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL15585966 0.78 SLC6A4 (0.49) SLC6A4HTR6IDO1MAP3K14IMPDH2
SCHEMBL29994158 0.78 SLC6A4 (0.52) SLC6A4HTR6IDO1HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3730489-A1 HETEROARYL COMPOUNDS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2020-10-28 EP disclosed
WO-2019057660-A1 INDOLE AND AZAINDOLE COMPOUNDS WITH SUBSTITUTED 6-MEMBERED ARYL AND HETEROARYL RINGS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2019-03-28 WO disclosed
WO-2019057660-A1 INDOLE AND AZAINDOLE COMPOUNDS WITH SUBSTITUTED 6-MEMBERED ARYL AND HETEROARYL RINGS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2019-03-28 WO disclosed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-9321756-B2 Azole compounds as PIM inhibitors AMGEN INC. (US) 2016-04-26 US disclosed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-8852937-B2 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2014-10-07 US disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
EP-2163554-A1 PYRIMIDODIAZEPINONE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2010-03-17 EP disclosed
EP-1272168-B2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS INC (US) 2009-10-28 EP disclosed
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin CURIS, INC. (US) 2008-08-28 US disclosed
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2007-01-25 US disclosed
US-7105516-B2 Compounds for the treatment of premature ejaculation BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-12 US disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 US disclosed
WO-2004026237-A2 COMPOUNDS FOR THE TREATMENT OF PREMATURE EJACULATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-01 WO disclosed
US-20040063768-A1 Compounds for the treatment of premature ejaculation BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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 (7 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-20040063768-A1 Compounds for the treatment of premature ejaculation HTR5A, SLC18A2, CYP17A1 SLC6A4 12/4885HTR6 9/4885IDO1 2916/4885
US-20070021493-A1 Mediators of hedgehog signaling pathways, compositions and uses related thereto SHH, SMO, GLI1 SLC6A4 4702/4885HTR6 2289/4885IDO1 4229/4885
US-20080207740-A1 tert-Butyl {4-[(4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamate; hedgehog pathway agonists; to modulate proliferation or differentiation in a cell or tissue in vivo or vitro; alopecia; angiogenesis; wound healing; alzheimer's disease; to inhibit aging effects on skin SHH, GLI1, SMO SLC6A4 4323/4885HTR6 923/4885IDO1 1037/4885
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D SLC6A4 194/4885HTR6 386/4885IDO1 1557/4885
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 SLC6A4 4702/4885HTR6 2289/4885IDO1 4229/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 SLC6A4 4526/4885HTR6 4688/4885IDO1 212/4885
US-20050070578-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SLC6A4 4594/4885HTR6 1759/4885IDO1 2423/4885

“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.