SCHEMBL2026474

SCHEMBL2026474

c1ccc2[nH]c(CN3CCOCC3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 1.00
HTT P42858 1/20 0.73
ALDH1A1 P00352 2/20 0.72
HSD17B10 Q99714 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
DRD4 P21917 10/20 0.70
KDM4E B2RXH2 2/20 0.65
MAPT P10636 1/20 0.65
NPC1 O15118 1/20 0.64
GAA P10253 1/20 0.64
DRD2 P14416 2/20 0.61
GRM2 Q14416 1/20 0.61
GRIN1 Q05586 1/20 0.60
GRIN2B Q13224 1/20 0.60
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
OPRK1 P41145 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
MYC P01106 1/20 0.58
DRD3 P35462 2/20 0.58

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
SCHEMBL13833222 0.98 HPGD (0.97) HPGDHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL5157052 0.89 HTT (0.84) HPGDHTTALDH1A1DRD4KDM4E
SCHEMBL24247366 0.87 HPGD (0.75) HPGDHTTALDH1A1HSD17B10L3MBTL1
SCHEMBL29368802 0.86 HTT (0.97) HPGDHTTALDH1A1HSD17B10DRD4
SCHEMBL12045417 0.86 HTT (0.97) HPGDHTTALDH1A1HSD17B10DRD4
SCHEMBL31010306 0.84 HTT (1.00) HPGDHTTALDH1A1HSD17B10DRD4
SCHEMBL22633621 0.84 HTT (1.00) HPGDHTTALDH1A1HSD17B10DRD4
SCHEMBL15063202 0.84 HTT (1.00) HPGDHTTALDH1A1HSD17B10DRD4
SCHEMBL8690436 0.83 HTT (0.75) HPGDHTTALDH1A1DRD4KDM4E
SCHEMBL30225658 0.83 HTT (0.75) HPGDHTTALDH1A1DRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516405-B1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S R L (IT) 2015-09-30 EP disclosed
EP-2516405-B1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S R L (IT) 2015-09-30 EP disclosed
US-9040529-B2 4-phenylamino-pyrimidine derivatives having protein kinase inhibitor activity VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-05-26 US disclosed
US-9040529-B2 4-phenylamino-pyrimidine derivatives having protein kinase inhibitor activity VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-05-26 US disclosed
US-9040529-B2 4-phenylamino-pyrimidine derivatives having protein kinase inhibitor activity VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-05-26 US disclosed
EP-2516405-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY Vichem Chemie Kutató KFT (HU) 2012-10-31 EP disclosed
US-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S.R.L. (IT) 2012-10-11 US disclosed
US-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S.R.L. (IT) 2012-10-11 US disclosed
US-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VIROSTATICS S.R.L. (IT) 2012-10-11 US disclosed
WO-2011077171-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY VICHEM CHEMIE KUTATÓ KFT. (HU) 2011-06-30 WO disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 WO disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 WO disclosed
EP-0583665-B1 Pharmaceutical composition and method for treating hyperlipidemia and arteriosclerosis FUJI PHOTO FILM CO LTD (JP) 2003-03-05 EP disclosed
US-5387600-A Anticholesterol agents; antilipemic agents FUJI PHOTO FILM CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583665-A2 Pharmaceutical composition and method for treating hyperlipidemia and arteriosclerosis FUJI PHOTO FILM CO., LTD. (JP) 1994-02-23 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-20120258968-A1 4-PHENYLAMINO-PYRIMIDINE DERIVATIVES HAVING PROTEIN KINASE INHIBITOR ACTIVITY CDK9, CDK19, CDKL3 HPGD 2448/4885HTT 3734/4885ALDH1A1 4385/4885
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 HPGD 13/4885HTT 4495/4885ALDH1A1 1044/4885

“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.