SCHEMBL20093341

SCHEMBL20093341

Cc1cc(-c2cc(Nc3cccc(NC(=O)c4ccc(NC(=O)/C=C/CN(C)C)cc4)c3)ncn2)ccn1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 13/20 0.80
PIP4K2B P78356 13/20 0.80
PIP4K2C Q8TBX8 1/20 0.69
PIKFYVE Q9Y2I7 1/20 0.69
MAPK8 P45983 4/20 0.61
MAPK9 P45984 4/20 0.61
MAPK10 P53779 3/20 0.61
CDK7 P50613 3/20 0.56
CCNH P51946 3/20 0.56
MNAT1 P51948 1/20 0.54
IRAK1 P51617 1/20 0.53

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
SCHEMBL18340744 0.91 PIP4K2A (0.81) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL18340746 0.91 PIP4K2A (0.81) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL29888600 0.91 PIP4K2A (0.81) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20087918 0.84 PIP4K2A (1.00) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20087930 0.83 PIP4K2A (0.75) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20087960 0.83 PIP4K2A (0.75) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20087924 0.83 PIP4K2A (1.00) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20093350 0.83 PIP4K2A (0.79) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL30107628 0.82 PIP4K2A (1.00) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL20087925 0.82 PIP4K2A (1.00) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8

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-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 US disclosed
US-20200338075-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
US-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-30 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 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 (4 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-20200338075-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDK3, CDK1, CDK14 PIP4K2A 10/4885PIP4K2B 13/4885PIP4K2C 17/4885
US-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof CDK3, CDK1, CDK14 PIP4K2A 10/4885PIP4K2B 13/4885PIP4K2C 17/4885
US-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDK3, CDK1, CDK14 PIP4K2A 10/4885PIP4K2B 13/4885PIP4K2C 17/4885
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A PIP4K2A 6/4885PIP4K2B 8/4885PIP4K2C 9/4885

“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.