SCHEMBL9764596

SCHEMBL9764596

CC(C)C(=O)Nc1ccc(Cl)nc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 3/20 0.57
TP53 P04637 2/20 0.57
KCNQ3 O43525 12/20 0.55
KCNQ2 O43526 12/20 0.55
KCNE1 P15382 8/20 0.55
KCNQ1 P51787 8/20 0.55
BACE1 P56817 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
IDO1 P14902 1/20 0.48

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
SCHEMBL24973910 0.84 CA1 (0.51) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL26503543 0.83 KCNQ3 (0.49) ALDH1A1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL16252551 0.81 SMN1; SMN2 (0.54) ALDH1A1RAB9ANPC1TP53KCNQ3
SCHEMBL5629234 0.80 KCNQ3 (0.60) ALDH1A1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL6361424 0.80 KCNQ3 (0.64) ALDH1A1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL30568974 0.80 KCNQ3 (0.64) ALDH1A1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL21503689 0.79 SMN1; SMN2 (0.50) ALDH1A1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL24670521 0.79 SMN1; SMN2 (0.52) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL4113463 0.79 RAB9A (0.59) RAB9ANPC1TP53KCNQ3KCNQ2
SCHEMBL2436172 0.78 KCNQ3 (0.67) ALDH1A1RAB9AKCNQ3KCNQ2KCNE1

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
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 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-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-10167254-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-01 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US 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-2016161269-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-2016161286-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-06 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5064846-A Heterocyclic insecticides ICI AMERICAS INC. (US) 1991-11-12 US disclosed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 US disclosed
CN-1033622-A HETEROCYCLIC INSECTICIDES ICI AMERICA INC (US) 1989-07-05 CN 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 (10 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 ALDH1A1 707/4885RAB9A 3625/4885NPC1 2825/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT ALDH1A1 707/4885RAB9A 3625/4885NPC1 2825/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885RAB9A 1576/4885NPC1 1389/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP ALDH1A1 569/4885RAB9A 1576/4885NPC1 1389/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT ALDH1A1 263/4885RAB9A 3832/4885NPC1 2350/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885RAB9A 2090/4885NPC1 4880/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT ALDH1A1 263/4885RAB9A 3832/4885NPC1 2350/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT ALDH1A1 263/4885RAB9A 3832/4885NPC1 2350/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP ALDH1A1 569/4885RAB9A 1576/4885NPC1 1389/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT ALDH1A1 263/4885RAB9A 3832/4885NPC1 2350/4885

“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.