SCHEMBL4040585

SCHEMBL4040585

CN1CCC(Cc2ccc(N)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
CARM1 Q86X55 2/20 0.47
PRMT6 Q96LA8 2/20 0.47
PRMT3 O60678 1/20 0.47
PRMT1 Q99873 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
NCF1 P14598 1/20 0.45
CCR3 P51677 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ADRA2C P18825 1/20 0.44
GFER P55789 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
BRD9 Q9H8M2 1/20 0.44

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
SCHEMBL21471559 0.93 LMNA (0.47) LMNAKMT2AMEN1CARM1PRMT6
SCHEMBL13185171 0.83 HTR2A (0.49) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL8302417 0.83 OPRM1 (0.51) LMNACARM1PRMT6CCR3KDM4E
SCHEMBL23183592 0.82 LMNA (0.50) LMNACARM1PRMT6
SCHEMBL13498031 0.82 MAOB (0.47) LMNAADRA2C
SCHEMBL13632568 0.82 KDM4E (0.50) KMT2AMEN1CARM1PRMT6PRMT3
SCHEMBL7446113 0.82 MEN1 (0.49) KMT2AMEN1ALDH1A1GFER
SCHEMBL8302415 0.81 OPRM1 (0.51)
SCHEMBL21443558 0.81 CCR3 (0.45) CARM1PRMT6PRMT3PRMT1PRMT8
SCHEMBL578726 0.81 SLC6A2 (0.52) CARM1PRMT6PRMT3PRMT1PRMT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144844-A1 SELECTIVE DIHYDROPYRROLOPYRIMIDINE JAK2 INHIBITORS Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2022-05-12 US disclosed
WO-2021017384-A1 DIHYDRO-PYRROLO-PYRIMIDINE SELECTIVE JAK2 INHIBITOR 上海勋和医药科技有限公司 2021-02-04 WO disclosed
US-20180125855-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2018-05-10 US disclosed
US-9849139-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-12-26 US disclosed
US-20170196881-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2017-07-13 US disclosed
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-02-23 US disclosed
US-9550770-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-01-24 US disclosed
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-25 US disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 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 (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-20170196881-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 LMNA 1977/4885KMT2A 830/4885MEN1 2593/4885
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 LMNA 1523/4885KMT2A 797/4885MEN1 440/4885
US-20180125855-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 LMNA 1977/4885KMT2A 830/4885MEN1 2593/4885
US-20220144844-A1 SELECTIVE DIHYDROPYRROLOPYRIMIDINE JAK2 INHIBITORS JAK2, JAK1, JAK3 LMNA 4860/4885KMT2A 619/4885MEN1 4068/4885
US-20170050936-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CDK2, MAP3K6, MAP3K2 LMNA 2760/4885KMT2A 1677/4885MEN1 3473/4885

“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.