SCHEMBL18340682

SCHEMBL18340682

COc1ccc(Oc2cc(Nc3cccc(NC(=O)c4ccc(NC(=O)/C=C/CN(C)C)cc4)c3)ncn2)cn1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 13/20 0.67
PIP4K2B P78356 13/20 0.67
PIP4K2C Q8TBX8 1/20 0.59
PIKFYVE Q9Y2I7 1/20 0.59
EGFR P00533 1/20 0.54
ITK Q08881 1/20 0.54
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
CDK7 P50613 5/20 0.51
CCNH P51946 5/20 0.51
MNAT1 P51948 1/20 0.51

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
SCHEMBL18340683 1.00 PIP4K2A (0.67) PIP4K2APIP4K2BPIP4K2CPIKFYVEEGFR
SCHEMBL20093352 0.89 PIP4K2A (0.68) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL18340685 0.82 EGFR (0.48) PIP4K2CEGFR
SCHEMBL20093350 0.80 PIP4K2A (0.79) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL18340742 0.80 MEN1 (0.55) EGFR
SCHEMBL2204319 0.78 PIP4K2A (0.55) PIP4K2APIP4K2BEGFRITK
SCHEMBL2204326 0.78 PIP4K2A (0.55) PIP4K2APIP4K2BEGFRITK
SCHEMBL20093351 0.78 PIP4K2A (0.83) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL22594898 0.77 PIP4K2A (0.65) PIP4K2APIP4K2BPIP4K2CPIKFYVEMAPK8
SCHEMBL18340746 0.77 PIP4K2A (0.81) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313530-B1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA FARBER CANCER INST INC (US) 2022-10-05 EP disclosed
US-20210315894-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-14 US disclosed
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-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-10695346-B2 4,6-pyrimidinylene derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-30 US disclosed
US-20180344733-A9 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-06 US disclosed
EP-3313530-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2018-05-02 EP disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 US disclosed
WO-2016210296-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-12-29 WO 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 (5 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
US-20180344733-A9 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.