SCHEMBL19665728

SCHEMBL19665728

CC1(Nc2ncc(N)c(NC3CCN(C(=O)OC(C)(C)C)CC3)n2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ GPR119 Q8TDV5 3/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ EHMT2 Q96KQ7 1/20 0.42
▸ RCOR1 Q9UKL0 1/20 0.42
▸ IDH1 O75874 1/20 0.42
▸ IDH2 P48735 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ MERTK Q12866 2/20 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
SCHEMBL29802927 1.00 ALDH1A1 (0.43) ALDH1A1MAPK8MAPK9GPR119NPC1
SCHEMBL29802481 0.98 ALDH1A1 (0.43) ALDH1A1MAPK8MAPK9GPR119NPC1
SCHEMBL19665708 0.98 ALDH1A1 (0.43) ALDH1A1MAPK8MAPK9GPR119NPC1
SCHEMBL19665565 0.93 PIK3CA (0.44) ALDH1A1MAPK8MAPK9GPR119NPC1
SCHEMBL19665757 0.86 MAPK8 (0.45) MAPK8MAPK9CDK2BTKMERTK
SCHEMBL19665692 0.86 EPHX1 (0.50) ALDH1A1GPR119NPC1MAPTMAPK1
SCHEMBL29290168 0.86 MAPK8 (0.42) MAPK8MAPK9CDK2MERTKHDAC1
SCHEMBL28644748 0.86 GPR119 (0.42) ALDH1A1MAPK8MAPK9GPR119NPC1
SCHEMBL29802579 0.86 GPR119 (0.42) ALDH1A1MAPK8MAPK9GPR119NPC1
SCHEMBL29802477 0.84 ALDH1A1 (0.47) ALDH1A1MAPK8MAPK9GPR119NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464287-B1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2022-06-08 — — EP disclosed
US-11344554-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2022-05-31 — — US disclosed
CN-109563095-B Animal and human antimalarial agents 细胞基因公司 2021-10-29 — — CN disclosed
US-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2020-10-22 — — US disclosed
US-10736899-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2020-08-11 — — US disclosed
US-10420771-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2019-09-24 — — US disclosed
EP-3464287-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS Celgene Corporation (US) 2019-04-10 — — EP disclosed
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORP (US) 2018-10-04 — — US disclosed
US-10016436-B2 Animal and human anti-malarial agents CELGENE CORPORATION (US) 2018-07-10 — — US disclosed
WO-2017210399-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION (US) 2017-12-07 — — WO disclosed
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS CELGENE CORPORATION 2017-12-07 — — 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-20200330469-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP ALDH1A1 1152/4885MAPK8 3431/4885MAPK9 3844/4885
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, NUDT1, UMPS ALDH1A1 968/4885MAPK8 3532/4885MAPK9 3736/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP ALDH1A1 1270/4885MAPK8 3423/4885MAPK9 3838/4885
US-10736899-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP ALDH1A1 1152/4885MAPK8 3431/4885MAPK9 3844/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS ALDH1A1 968/4885MAPK8 3532/4885MAPK9 3736/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP ALDH1A1 1152/4885MAPK8 3431/4885MAPK9 3844/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP ALDH1A1 1152/4885MAPK8 3431/4885MAPK9 3844/4885

“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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