SCHEMBL19665697

SCHEMBL19665697

Nc1cnc(NC2CCC2)nc1NC1CCN(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.45
ULK1 O75385 1/20 0.43
SYK P43405 5/20 0.43
EGFR P00533 2/20 0.43
JAK3 P52333 1/20 0.43
ITK Q08881 1/20 0.43
BTK Q06187 1/20 0.41
CCNK O75909 2/20 0.41
CDK12 Q9NYV4 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
MAPK9 P45984 4/20 0.40
MAPK3 P27361 2/20 0.40

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
SCHEMBL19665596 0.84 MAPK8 (0.46) MAPK8SYKEGFRJAK3ITK
SCHEMBL19665732 0.84 USP30 (0.48) BTKMAPK3
SCHEMBL29802534 0.84 USP30 (0.48) BTKMAPK3
SCHEMBL19665675 0.84 HDAC3 (0.45) MAPK8SYKEGFRBTKMAPK9
SCHEMBL19665706 0.83 GSK3A (0.50) MAPK8ULK1SYKEGFRJAK3
SCHEMBL3190443 0.82 KMT2A (0.39) JAK3BTKCCNKCDK12
SCHEMBL1694067 0.81 JAK3 (0.44) EGFRJAK3ITKBTKMAPK3
SCHEMBL19665733 0.80 MAPK8 (0.47) MAPK8SYKEGFRJAK3BTK
SCHEMBL15973997 0.79 EGFR (0.56) SYKEGFRJAK3ITKBTK
SCHEMBL19665692 0.78 EPHX1 (0.50) SYKBTKCCNA2CDK2

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 10 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
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 MAPK8 3431/4885ULK1 1637/4885SYK 3528/4885
US-20170348316-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, NUDT1, UMPS MAPK8 3532/4885ULK1 1501/4885SYK 3762/4885
US-10420771-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP MAPK8 3423/4885ULK1 1732/4885SYK 3535/4885
US-10736899-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP MAPK8 3431/4885ULK1 1637/4885SYK 3528/4885
US-10016436-B2 Animal and human anti-malarial agents HPRT1, NUDT1, UMPS MAPK8 3532/4885ULK1 1501/4885SYK 3762/4885
US-11344554-B2 Animal and human anti-malarial agents HPRT1, UMPS, PNP MAPK8 3431/4885ULK1 1637/4885SYK 3528/4885
US-20180280398-A1 ANIMAL AND HUMAN ANTI-MALARIAL AGENTS HPRT1, UMPS, PNP MAPK8 3431/4885ULK1 1637/4885SYK 3528/4885

“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.