SCHEMBL18112296

SCHEMBL18112296

N#Cc1ccc(NC(=O)O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.51
USP30 Q70CQ3 1/20 0.48
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SIRT2 Q8IXJ6 2/20 0.43
PKM P14618 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
GPR27 Q9NS67 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4805167 0.85 HDAC1 (0.54) MAP2K1USP30CXCR1CXCR2KMT2A
SCHEMBL20560202 0.85 USP30 (0.47) MAP2K1USP30CXCR1CXCR2KMT2A
SCHEMBL30455323 0.83 KMT2A (0.61) MAP2K1CXCR1CXCR2KMT2AMEN1
SCHEMBL16924564 0.82 CXCR1 (0.47) MAP2K1USP30CXCR1CXCR2SIRT2
SCHEMBL10622676 0.82 USP30 (0.46) MAP2K1USP30CXCR1CXCR2KMT2A
Oxalic Acid SCHEMBL20984652 0.80 MAP2K1 (0.49) MAP2K1USP30CXCR1CXCR2KMT2A
Oxalic Acid SCHEMBL20984650 0.80 MAP2K1 (0.49) MAP2K1USP30CXCR1CXCR2KMT2A
SCHEMBL21138720 0.80 MAP2K1 (0.46) MAP2K1USP30KMT2AMEN1SIRT2
SCHEMBL28860755 0.79 NPC1 (0.56) MAP2K1USP30CXCR1CXCR2KMT2A
SCHEMBL2522134 0.79 CXCR2 (0.47) MAP2K1CXCR1CXCR2KMT2AMEN1

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
US-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2022-04-21 US disclosed
EP-3887359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2021-10-06 EP disclosed
US-20210205291-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-07-08 US disclosed
US-10689331-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-23 US disclosed
WO-2020108720-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING Københavns Universitet (DK) 2020-06-04 WO disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20190002402-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-01-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
EP-3406606-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2018-11-28 EP disclosed
EP-3277672-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277671-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
EP-3277670-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2018-02-07 EP disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
WO-2016210414-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-29 WO disclosed
WO-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161279-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
WO-2016161269-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 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 (9 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-10167254-B2 IDO inhibitors IDO1, IDO2, INMT MAP2K1 1796/4885USP30 2119/4885CXCR1 2122/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT MAP2K1 1796/4885USP30 2119/4885CXCR1 2122/4885
US-20220119359-A1 NOVEL TETRAZINE COMPOUNDS FOR IN VIVO IMAGING RTN3, RXFP3, TAAR5 MAP2K1 4356/4885USP30 3366/4885CXCR1 3202/4885
US-20190002402-A1 IDO INHIBITORS IDO1, IDO2, INMT MAP2K1 1796/4885USP30 2119/4885CXCR1 2122/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAP2K1 1878/4885USP30 2500/4885CXCR1 2797/4885
US-20210205291-A1 NITROGENOUS HETEROCYCLIC AMIDE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL APPLICATION NNT, NAPRT, NAT1 MAP2K1 2852/4885USP30 2543/4885CXCR1 311/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAP2K1 1878/4885USP30 2500/4885CXCR1 2797/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT MAP2K1 1796/4885USP30 2119/4885CXCR1 2122/4885
US-10689331-B2 IDO inhibitors IDO1, IDO2, INMT MAP2K1 1796/4885USP30 2119/4885CXCR1 2122/4885

“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.