SCHEMBL16892009

SCHEMBL16892009

CN(C)C1CCN(c2cnc(N)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
MAP4K4 O95819 1/20 0.40
ACVR1 Q04771 2/20 0.39
CDK2 P24941 2/20 0.38
CCNE1 P24864 1/20 0.38
HSF1 Q00613 1/20 0.38
CTSC P53634 1/20 0.38
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
LCK P06239 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
CDK4 P11802 4/20 0.36
CDK6 Q00534 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PDE1B Q01064 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL20311336 0.84 ACVR1 (0.42) PTPN11ACVR1CDK2CCNE1HSF1
SCHEMBL1992323 0.82 CDK2 (0.43) PTPN11MAP4K4ACVR1CDK2CCNE1
SCHEMBL25085650 0.80 ACVR1 (0.38) PTPN11ACVR1CDK2CCNE1HSF1
SCHEMBL21267364 0.80 CDK4 (0.40) PTPN11ACVR1CDK2CCNE1HSF1
SCHEMBL28097122 0.79 CYP3A4 (0.46) PTPN11MAP4K4ACVR1CDK2CCNE1
SCHEMBL14307264 0.78 ACVR1 (0.46) ACVR1CDK2CCNE1HSF1CTSC
SCHEMBL19490771 0.78 CDK4 (0.38) PTPN11ACVR1CDK2CCNE1HSF1
SCHEMBL28611481 0.76 L3MBTL3 (0.42) PTPN11ACVR1L3MBTL3CDK4CDK6
SCHEMBL1976516 0.76 CHRNB2 (0.55) ACVR1CDK2CCNE1HSF1CTSC
SCHEMBL12558175 0.76 CHRNB2 (0.52) PTPN11CDK2CCNE1HSF1CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549069-A Kinase inhibitor 重庆复创医药研究有限公司 2021-10-26 CN disclosed
CN-108779117-B Kinase inhibitor 重庆复创医药研究有限公司 2021-08-31 CN disclosed
EP-3091008-B1 KINASE INHIBITOR AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-06-27 EP disclosed
EP-3091008-B1 KINASE INHIBITOR AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-06-27 EP disclosed
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US disclosed
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US disclosed
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 US disclosed
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-01-04 US disclosed
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-01-04 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
WO-2017114351-A1 CERTAIN PROTEIN KINASE INHIBITORS Chongqing Fochon Pharmaceutical Co., Ltd. (CN) 2017-07-06 WO disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US disclosed
EP-3091008-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2016-11-09 EP disclosed
WO-2015101293-A1 KINASE INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2015-07-09 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 (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-20160332989-A1 Kinase Inhibitor And Use Thereof CDK4, CDK6, CDK3 PTPN11 1010/4885MAP4K4 160/4885ACVR1 2177/4885
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF CDK4, CDK6, CDK3 PTPN11 1010/4885MAP4K4 160/4885ACVR1 2177/4885

“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.