SCHEMBL12717852

SCHEMBL12717852

CCC(C)(C)CN1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 6/20 0.33
MAOB P27338 5/20 0.33
ATM Q13315 1/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL12718302 0.97 ALDH1A1 (0.37) LMNAALDH1A1HRH3MAOBMEN1
SCHEMBL28176817 0.90
SCHEMBL17448223 0.86 HRH3 (0.32) ALDH1A1HRH3MAOBTSHR
SCHEMBL11501574 0.86 LMNA (0.36) LMNAALDH1A1HRH3ATMCARM1
SCHEMBL20227878 0.82 ALDH1A1 (0.35) ALDH1A1KMT2ATSHR
SCHEMBL19255440 0.80 ATM (0.31) LMNAALDH1A1HRH3ATMCARM1
SCHEMBL14420950 0.80 HTT (0.38) LMNAALDH1A1ATMTDP1HTT
SCHEMBL25070734 0.78
SCHEMBL14614393 0.78 SIGMAR1 (0.37) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL11135476 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ATSHR

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
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ALLCRON PHARMA INC. 2023-12-14 US disclosed
US-11697654-B2 Kinase inhibitors exhibiting anti-cancer activity and their method of use ALLCRON PHARMA INC. (US) 2023-07-11 US disclosed
US-20210040104-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ALLCRON PHARMA INC. 2021-02-11 US disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
US-9133146-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-15 US disclosed
US-8946203-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-8551982-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 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 (12 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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 LMNA 2110/4885ALDH1A1 1358/4885HRH3 3788/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 LMNA 3691/4885ALDH1A1 4108/4885HRH3 1907/4885
US-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LMNA 588/4885ALDH1A1 971/4885HRH3 1935/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LMNA 588/4885ALDH1A1 971/4885HRH3 1935/4885
US-20210040104-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ABL1, MCL1, ABL2 LMNA 2691/4885ALDH1A1 3210/4885HRH3 3520/4885
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ABL1, MCL1, ABL2 LMNA 2691/4885ALDH1A1 3210/4885HRH3 3520/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP LMNA 588/4885ALDH1A1 971/4885HRH3 1935/4885
US-11697654-B2 Kinase inhibitors exhibiting anti-cancer activity and their method of use ABL1, MCL1, ABL2 LMNA 2749/4885ALDH1A1 2686/4885HRH3 3667/4885
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S LMNA 342/4885ALDH1A1 324/4885HRH3 115/4885
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S LMNA 342/4885ALDH1A1 324/4885HRH3 115/4885
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S LMNA 408/4885ALDH1A1 354/4885HRH3 285/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 LMNA 3018/4885ALDH1A1 3524/4885HRH3 2523/4885

“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.