SCHEMBL1848853

SCHEMBL1848853

C1=C(c2c[nH]c3ncccc23)CCNC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
HSD17B10 Q99714 2/20 0.61
DRD2 P14416 1/20 0.61
ALOX15 P16050 1/20 0.61
HTR2A P28223 1/20 0.52
HTR2B P41595 1/20 0.52
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR6 P50406 2/20 0.47
PDPK1 O15530 2/20 0.47
TGFBR1 P36897 2/20 0.47
IKBKE Q14164 1/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1D P28221 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL8017351 0.90 HTR2C (0.51) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL12874727 0.80 HTR2C (0.51) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL24440670 0.80 HTR2A (0.57) HTR2CHTR2AHTR2BTMEM97SIGMAR1
SCHEMBL4412860 0.78 DYRK1A (0.51) HTR2CHTR2AHTR2BTMEM97SIGMAR1
SCHEMBL10124857 0.78 CDK9 (0.49) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL12874723 0.78 HTR2C (0.46) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL30509685 0.77 HTR2A (0.59) HTR2CHTR2AHTR2BTMEM97SIGMAR1
SCHEMBL9697101 0.77 KDM4E (0.61) HTR2CKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2008363 0.77 HTR2A (0.59) HTR2CHTR2AHTR2BTMEM97SIGMAR1
SCHEMBL38661232 0.77 HTR2C (0.49) HTR2CKDM4EALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169947-A 3-(1,2,5,6-tetrahydropyridyl)-pyrrolopyridines PFIZER INC. (US) 1992-12-08 US claimed
EP-3233829-B1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER (US) 2019-08-14 EP disclosed
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
EP-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 EP disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 US disclosed
EP-1497292-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2005-01-19 EP disclosed
WO-2004055024-A1 3-SUBSTITUTED 3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDINE-4-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2004-07-01 WO disclosed
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH 2003-12-25 US disclosed
WO-2003082867-A1 AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2003-10-09 WO disclosed
US-6559169-B2 For therapy of depression, anxiety, panic disorder, post-traumatic stress disorder, premenstrual dysphoric disorder attention deficit disorder,obsessive compulsive disorder, obesity, eating disorders, sexual dysfunction WYETH 2003-05-06 US disclosed
US-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan WYETH (US) 2002-12-19 US disclosed
EP-1171439-A1 AZAINDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2002-01-16 EP disclosed
US-6337336-B1 HETEROCYCLIC OXYPHENOL COMPOUNDS AMERICAN HOME PRODUCTS CORPORATION 2002-01-08 US disclosed
US-6221863-B1 TREATING DEPRESSION IN A PATIENT AMERICAN HOME PRODUCTS CORP. 2001-04-24 US disclosed
WO-2000064898-A1 AZAINDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-02 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-20020193400-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 HTR2C 13/4885KDM4E 1730/4885ALDH1A1 45/4885
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TANK, NFKBIA, TBK1 HTR2C 2960/4885KDM4E 320/4885ALDH1A1 4103/4885
US-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK HTR2C 4112/4885KDM4E 2150/4885ALDH1A1 4703/4885
US-20030236241-A1 Antidepressant azaheterocyclylmethyl derivatives of 2,3-dihydro-1,4-benzodioxan OPRD1, DRD1, DRD2 HTR2C 13/4885KDM4E 1730/4885ALDH1A1 45/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 HTR2C 3080/4885KDM4E 301/4885ALDH1A1 4103/4885

“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.