SCHEMBL17167980

SCHEMBL17167980

CCCOCCOCCNC(=O)[C@@H](N)CCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RRM1 P23921 1/20 0.47
▸ GNAI3 P08754 1/20 0.45
▸ GNAO1 P09471 1/20 0.45
▸ GNAI1 P63096 1/20 0.45
▸ TLR2 O60603 8/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ S1PR2 O95136 2/20 0.39
▸ S1PR1 P21453 2/20 0.39
▸ S1PR3 Q99500 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39

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
SCHEMBL14205322 0.86 GNAI3 (0.65) DPP7MEN1KMT2ARRM1GNAI3
SCHEMBL30094858 0.86 GNAI3 (0.65) DPP7MEN1KMT2ARRM1GNAI3
SCHEMBL17152399 0.82 MEN1 (0.50) DPP7MEN1KMT2ARRM1GNAI3
SCHEMBL21440012 0.81 MEN1 (0.45) DPP7MEN1KMT2ARRM1TLR2
SCHEMBL20364108 0.80 DPP7 (0.54) DPP7MEN1KMT2ARRM1GNAI3
SCHEMBL19732602 0.80 DPP7 (0.54) DPP7MEN1KMT2ARRM1GNAI3
SCHEMBL30186566 0.80 DPP7 (0.46) DPP7MEN1KMT2ARRM1GNAI3
SCHEMBL25835481 0.80 DPP7 (0.47) DPP7MEN1KMT2ARRM1GNAI3
SCHEMBL14616486 0.79 GNAI3 (0.68) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21771221 0.79 KMT2A (0.63) MEN1KMT2ATLR2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771330-B2 Pyrimidine compounds for the treatment of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-09-26 — — US disclosed
US-9649309-B2 Therapeutic uses of selected pyrimidine compounds with anti-Mer tyrosine kinase activity THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-05-16 — — US disclosed
US-20150322019-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2015-11-12 — — US disclosed
US-20150290194-A1 THERAPEUTIC USES OF SELECTED PYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-15 — — 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 (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-20150322019-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER TYMP, TYMS, DPYD DPP7 2939/4885MEN1 2936/4885KMT2A 1815/4885
US-20150290194-A1 THERAPEUTIC USES OF SELECTED PYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY MERTK, FLT3, TK1 DPP7 2686/4885MEN1 2374/4885KMT2A 1609/4885

“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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