SCHEMBL17004029

SCHEMBL17004029

CC[C@@H](Nc1nc(N(C)c2ccccc2)c2ncn(C(C)C)c2n1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 15/20 0.65
▸ CCNE1 P24864 13/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MAPK1 P28482 7/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MDM2 Q00987 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CDK1 P06493 13/20 0.48
▸ CDK7 P50613 12/20 0.48
▸ CDK4 P11802 9/20 0.48
▸ CCNB1 P14635 9/20 0.48
▸ CCND1 P24385 9/20 0.48
▸ CCNH P51946 9/20 0.48
▸ CDK5 Q00535 6/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ CCNE2 O96020 3/20 0.46
▸ CSNK1D P48730 2/20 0.46
▸ CLK2 P49760 2/20 0.46
▸ CSNK1G2 P78368 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46

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
SCHEMBL15387124 0.85 NPSR1 (0.67) CDK2CCNE1NPSR1MAPK1CDK1
SCHEMBL19112192 0.85 NPSR1 (0.67) CDK2CCNE1NPSR1MAPK1CDK1
SCHEMBL19112178 0.85 NPSR1 (0.67) CDK2CCNE1NPSR1MAPK1CDK1
SCHEMBL30356263 0.85 NPSR1 (0.67) CDK2CCNE1NPSR1MAPK1CDK1
SCHEMBL23927311 0.85 NPSR1 (0.54) CDK2CCNE1NPSR1MAPK1MAPT
Hydrochloric Acid SCHEMBL30268945 0.84 NPSR1 (0.66) CDK2CCNE1NPSR1MAPK1CDK1
Hydrochloric Acid SCHEMBL23927315 0.84 NPSR1 (0.66) CDK2CCNE1NPSR1MAPK1CDK1
Hydrochloric Acid SCHEMBL23927317 0.84 NPSR1 (0.66) CDK2CCNE1NPSR1MAPK1CDK1
SCHEMBL22651961 0.84 NPSR1 (0.70) CDK2CCNE1NPSR1MAPK1MAPT
SCHEMBL17628572 0.82 CDK2 (0.66) CDK2CCNE1NPSR1MAPK1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10561661-B2 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2020-02-18 — — US claimed
EP-2907514-B1 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2019-10-23 — — EP claimed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 — — US claimed
EP-2907514-A1 Purine derivative compounds for medical use Manros Therapeutics (FR) 2015-08-19 — — EP claimed
US-10561661-B2 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2020-02-18 — — US disclosed
EP-2907514-B1 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2019-10-23 — — EP disclosed
US-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-12 — — US disclosed
EP-2907514-A1 Purine derivative compounds for medical use Manros Therapeutics (FR) 2015-08-19 — — EP 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 (2 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-20150320753-A1 PURINE DERIVATIVE COMPOUNDS FOR MEDICAL USE MSR1, TPMT, M6PR CDK2 2532/4885CCNE1 1270/4885NPSR1 578/4885
US-10561661-B2 Purine derivative compounds for medical use MSR1, TPMT, M6PR CDK2 2532/4885CCNE1 1270/4885NPSR1 578/4885

“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.

Send feedback