Sugi Predict

Sugi Predict / Compounds / SCHEMBL842300

SCHEMBL842300

SCHEMBL842300

Cc1ccnc(-c2cccc(C(N)=O)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.61
▸ MAP2K4 P45985 1/20 0.57
▸ CYP2A6 P11509 1/20 0.57
▸ CNR1 P21554 1/20 0.53
▸ PRKCI P41743 1/20 0.51
▸ DHODH Q02127 1/20 0.50
▸ CSF1R P07333 1/20 0.50
▸ FLT1 P17948 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ CCR1 P32246 1/20 0.50
▸ CCR5 P51681 1/20 0.50
▸ CCR8 P51685 1/20 0.50
▸ FYN P06241 4/20 0.49
▸ ABL1 P00519 3/20 0.49
▸ BCR P11274 3/20 0.49
▸ KMO O15229 2/20 0.49
▸ PIM1 P11309 1/20 0.48
▸ TLR8 Q9NR97 1/20 0.47
▸ KDM1A O60341 1/20 0.47

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
SCHEMBL23259447 0.85 CYP2A6 (0.58) CYP2A6CNR1CCR1CCR5CCR8
SCHEMBL15344114 0.83 CYP2A6 (0.56) PARP1CYP2A6CNR1CCR1CCR5
SCHEMBL3080629 0.81 MAPT (0.53) PARP1MAP2K4PRKCIKMOKDM1A
SCHEMBL5605353 0.81 PARP1 (0.78) PARP1MAP2K4CNR1DHODHCSF1R
SCHEMBL12408987 0.81 CYP2A6 (0.65) CYP2A6CNR1CCR1CCR5CCR8
SCHEMBL901655 0.80 KARS1 (0.70) MAP2K4FYNABL1
SCHEMBL15340927 0.80 LDHB (0.49) PARP1MAP2K4PRKCIFYNPIM1
Hydrochloric Acid SCHEMBL4630417 0.80 MAPT (0.52) PARP1MAP2K4PRKCIKMOKDM1A
SCHEMBL2485266 0.79 KDM1A (0.59) PARP1MAP2K4CYP2A6DHODHCSF1R
SCHEMBL27872408 0.79 KDM4B (0.52) PRKCIFLT3FYNPIM1KDM1A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 — — US claimed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 — — EP claimed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 — — WO claimed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 — — EP disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 — — US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 — — US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 — — US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 — — US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 — — US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 — — US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 — — US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 — — EP disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 — — US disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 — — US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 — — EP disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 — — WO disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 — — 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 (6 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-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 PARP1 4522/4885MAP2K4 4584/4885CYP2A6 452/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PARP1 3744/4885MAP2K4 4336/4885CYP2A6 2409/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PARP1 635/4885MAP2K4 4858/4885CYP2A6 855/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PARP1 635/4885MAP2K4 4858/4885CYP2A6 855/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PARP1 3744/4885MAP2K4 4336/4885CYP2A6 2409/4885
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 PARP1 1715/4885MAP2K4 571/4885CYP2A6 1058/4885

“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.