SCHEMBL18120359

SCHEMBL18120359

Cc1nn2ccc(C(C)(C)C)nc2c1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL18122086 0.80 HTR6 (0.43) HTR6PTGS2NPC1RAB9AMAPT
SCHEMBL31001801 0.77 KDM4E (0.35) HTR6KDM4ENPSR1NPC1RAB9A
SCHEMBL31001899 0.72 KMT2A (0.33) HTR6PTGS2
SCHEMBL31001747 0.72 TGFBR1 (0.31) —
SCHEMBL18069380 0.70 SCN5A (0.47) KDM4ENPSR1NPC1RAB9AMAPT
SCHEMBL18120344 0.68 KCNH2 (0.35) NPSR1NPC1RAB9AGAAMAPT
SCHEMBL20043180 0.67 KDM4E (0.46) KDM4ENPSR1NPC1RAB9AMAPT
SCHEMBL21370421 0.67 SCN5A (0.38) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL15306534 0.67 HTR6 (0.38) HTR6KDM4EPTGS2NPSR1NPC1
SCHEMBL20047674 0.67 KDM4E (0.54) KDM4ENPSR1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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-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
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 — — US 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 (7 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 HTR6 387/4885KDM4E 272/4885PTGS2 323/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT HTR6 387/4885KDM4E 272/4885PTGS2 323/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT HTR6 129/4885KDM4E 375/4885PTGS2 60/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HTR6 129/4885KDM4E 375/4885PTGS2 60/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT HTR6 129/4885KDM4E 375/4885PTGS2 60/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT HTR6 387/4885KDM4E 272/4885PTGS2 323/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT HTR6 129/4885KDM4E 375/4885PTGS2 60/4885

“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.

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