SCHEMBL4054853

SCHEMBL4054853

CC(C)C(c1ccc(N)cc1)n1ccnc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 8/20 0.68
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
CYP19A1 P11511 7/20 0.49
CYP26A1 O43174 3/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL9664044 0.83 CYP17A1 (0.66) CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1
SCHEMBL9078342 0.83 CYP17A1 (0.58) CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1
SCHEMBL14837689 0.83 CYP17A1 (0.48) CYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL19999188 0.81 CYP19A1 (0.69) CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1
SCHEMBL27428164 0.80 CYP17A1 (0.63) CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1
SCHEMBL1507796 0.80 CYP19A1 (0.68) CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1
SCHEMBL940720 0.79 CYP19A1 (0.70) CYP17A1CYP11B1CYP11B2CYP19A1CYP26A1
SCHEMBL4053811 0.78 CYP17A1 (0.45) CYP17A1CYP11B1CYP11B2CYP26A1
SCHEMBL4052241 0.78 CYP17A1 (0.45) CYP17A1CYP11B1CYP11B2CYP26A1
SCHEMBL4053809 0.78 CYP17A1 (0.45) CYP17A1CYP11B1CYP11B2CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed
US-7378433-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2008-05-27 US disclosed
US-20080058334-A1 Retinoic Acid Mimetic Anilides MABIRE DOMINIQUE 2008-03-06 US disclosed
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES MABIRE DOMINIQUE 2007-05-10 US disclosed
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2007-04-19 US disclosed
US-7205312-B2 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-17 US disclosed
US-7179825-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
US-6936626-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-30 US disclosed
US-20050165018-A1 Retinoic acid mimetic anilides MABIRE DOMINIQUE (FR) 2005-07-28 US disclosed
US-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines JANSSEN PHARMACEUTICA, N.V. 2005-05-26 US disclosed
EP-1037880-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP disclosed
US-6124330-A A RETINOIC MIMETIC COMPOUND FOR TREATING A WARM-BLOODED ANIMAL SUFFERING FROM A DISEASE BY AN ABNORMAL PROLIFERATION AND/OR ABNORMAL DIFFERENTIATION OF NORMAL, PRENEOPLASTIC OR NEOPLASTIC CELLS JANSSEN-CILAG S.A. (FR) 2000-09-26 US disclosed
WO-1999029674-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 WO disclosed
EP-0907650-A1 N- 4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1999-04-14 EP disclosed
WO-1997049704-A1 N-[4-(HETEROARYLMETHYL)PHENYL]-HETEROARYLAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-12-31 WO disclosed
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 US disclosed
US-5441954-A Treatment of disorders characterized by increased proliferation and/or abnormal differentiation of cells JANSSEN PHARMACEUTICA N. V. (BE) 1995-08-15 US disclosed
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 EP disclosed
US-5268380-A Therapy for keratinization in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1993-12-07 US disclosed
US-5185346-A Antiandrogenic agents; suppress elimination of retinoids; anticarcinogenic agents HANSSEN PHARMACEUTICA (BE) 1993-02-09 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 (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-20050113378-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 CYP17A1 227/4885CYP11B1 33/4885CYP11B2 31/4885
US-20050165018-A1 Retinoic acid mimetic anilides RXRA, RXRB, RXRG CYP17A1 304/4885CYP11B1 126/4885CYP11B2 222/4885
US-20080058334-A1 Retinoic Acid Mimetic Anilides RXRA, RXRB, RXRG CYP17A1 317/4885CYP11B1 143/4885CYP11B2 242/4885
US-20070105858-A1 RETINOIC ACID MIMETIC ANILIDES RXRA, RXRB, RXRG CYP17A1 304/4885CYP11B1 126/4885CYP11B2 222/4885
US-20070088062-A1 N-[4-(heteroarylmethyl)phenyl]-heteroarylamines CYP2S1, CYP2D6, CYP2C19 CYP17A1 227/4885CYP11B1 33/4885CYP11B2 31/4885

“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.