Sugi Predict

Sugi Predict / Compounds / SCHEMBL319435

SCHEMBL319435

SCHEMBL319435

Nc1cnc(-c2ccccc2F)nc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.45
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ DHODH Q02127 1/20 0.40
▸ EGLN1 Q9GZT9 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ BLVRB P30043 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ADORA2A P29274 2/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ PIM3 Q86V86 2/20 0.37
▸ PIM2 Q9P1W9 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL11907633 0.89 ATR (0.38) ATRNPC1RAB9ADHODHMAOA
SCHEMBL318938 0.84 TYK2 (0.43) ATRDHODHPIM1PIM3PIM2
SCHEMBL11909975 0.83 KMO (0.47) DHODHHDAC6ALDH1A1PIM1HPGD
SCHEMBL14801053 0.82 NPC1 (0.43) ATRNPC1RAB9ADHODHEGLN1
SCHEMBL14068066 0.82 ATR (0.38) ATRNPC1RAB9ADHODHEGLN1
SCHEMBL11907272 0.82 ATR (0.48) ATRNPC1RAB9ADHODHEGLN1
SCHEMBL11908299 0.81 MAP4K4 (0.38) DHODHALDH1A1PIM1
SCHEMBL11907842 0.81 KMO (0.49) CSNK2A2PIM3
SCHEMBL319097 0.80 MEN1 (0.48) NPC1RAB9AADORA2AADORA3ALDH1A1
SCHEMBL22573477 0.79 NPC1 (0.52) ATRNPC1RAB9ADHODHEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103987707-B The base heterocyclic radical benzamide compound of pyrazoles 4 and application method 霍夫曼-拉罗奇有限公司 2017-11-07 — — CN claimed
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 — — US claimed
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-20 — — US claimed
CN-103987707-B The base heterocyclic radical benzamide compound of pyrazoles 4 and application method 霍夫曼-拉罗奇有限公司 2017-11-07 — — CN disclosed
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 — — US disclosed
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 — — CN disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 — — US disclosed
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 — — US disclosed
WO-2012120415-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-13 — — WO disclosed
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-09-06 — — US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 — — US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 — — WO disclosed
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 — — CN disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 — — EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 — — 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ATR 423/4885NPC1 4325/4885RAB9A 4183/4885
US-20140228363-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 ATR 787/4885NPC1 1096/4885RAB9A 3024/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ATR 423/4885NPC1 4325/4885RAB9A 4183/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 ATR 1435/4885NPC1 2654/4885RAB9A 3867/4885
US-20120225061-A1 TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS PIM1, PIM2, PIM3 ATR 787/4885NPC1 1096/4885RAB9A 3024/4885

“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.