SCHEMBL1675799

SCHEMBL1675799

Nc1ccc2[nH]cc(C3=CCNCC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.67
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HSD17B10 Q99714 4/20 0.66
HTR2C P28335 4/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HTR1D P28221 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
MAPK1 P28482 1/20 0.66
BRCA1 P38398 1/20 0.66
DRD2 P14416 1/20 0.65
ALOX15 P16050 1/20 0.65
JAK2 O60674 1/20 0.57
PRKD3 O94806 1/20 0.57
MARK3 P27448 1/20 0.57
PRKCI P41743 1/20 0.57
PRKCD Q05655 1/20 0.57

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
SCHEMBL2778860 0.83 HTR6 (0.67) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL7460028 0.83 HTR6 (0.67) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL6631651 0.83 KDM4E (0.70) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL2783986 0.83 HTR6 (0.67) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL3836149 0.83 HTR6 (0.67) HTR6KDM4EALDH1A1HSD17B10HTR2C
Water SCHEMBL10867618 0.82 HTR6 (0.70) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL4880407 0.81 HTR6 (1.00) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL6631360 0.80 HTR6 (0.60) HTR6KDM4EALDH1A1HSD17B10HTR2C
SCHEMBL13533314 0.80 HTR6 (0.63) HTR6KDM4EALDH1A1HSD17B10HTR2C
Hydrochloric Acid SCHEMBL11261885 0.80 HTR6 (0.65) HTR6KDM4EALDH1A1HSD17B10HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
CN-103122001-A Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL 2013-05-29 CN disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-8318727-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8026234-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-27 US disclosed
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-18 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
CN-101917995-A POLO-like kinase inhibitors TAKEDA PHARMACEUTICAL 2010-12-15 CN disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5962474-A ANALGESICS; HEADACHES ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
CN-1184425-A 5-substituted-3- (1,2,3, 6-tetrahydropyridin-4-yl) -and 3- (piperidin-4-yl) -1H-indoles, 5-HT1FAgonists LILLY CO ELI (US) 1998-06-10 CN disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
WO-1998011895-A1 A METHOD FOR THE PREVENTION OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-03-26 WO disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5708008-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
WO-1997000244-A1 PROCESS FOR PARALLEL SYNTHESIS OF A NON-PEPTIDE LIBRARY ELI LILLY AND COMPANY (US) 1997-01-03 WO disclosed
WO-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 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 (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-20110201818-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK HTR6 4477/4885KDM4E 2195/4885ALDH1A1 4009/4885
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK HTR6 4477/4885KDM4E 2195/4885ALDH1A1 4009/4885

“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.