SCHEMBL274575

SCHEMBL274575

CN(C)C1CCN(c2ccc(N)cc2C(F)(F)F)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EML4 Q9HC35 1/20 0.47
ALK Q9UM73 1/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
HSD11B1 P28845 2/20 0.43
MAP4K4 O95819 1/20 0.39
LCK P06239 2/20 0.39
KDR P35968 2/20 0.39
TEK Q02763 2/20 0.39
NR1H2 P55055 1/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
WDR5 P61964 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37

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
SCHEMBL17135166 1.00 EML4 (0.47) EML4ALKTP53MAPTSMN1; SMN2
SCHEMBL20374353 0.92 ALDH1A1 (0.49) EML4ALKTP53MAPTSMN1; SMN2
SCHEMBL1750144 0.85 EML4 (0.43) EML4ALKTP53MAPTSMN1; SMN2
SCHEMBL4259153 0.83 ALDH1A1 (0.48) MAPTALDH1A1HTTMAP4K4LCK
SCHEMBL22164691 0.83 ALDH1A1 (0.48) MAPTALDH1A1HTTMAP4K4LCK
SCHEMBL189139 0.83 ALDH1A1 (0.48) MAPTALDH1A1HTTMAP4K4LCK
SCHEMBL30221466 0.83 ALDH1A1 (0.44) MAPTALDH1A1HTTMAP4K4GAA
SCHEMBL15586057 0.83 ALDH1A1 (0.44) MAPTALDH1A1HTTMAP4K4GAA
SCHEMBL27959375 0.83 EML4 (0.48) EML4ALKHSD11B1LCKKDR
SCHEMBL28021938 0.83 EML4 (0.48) EML4ALKHSD11B1LCKKDR

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US claimed
US-20100113467-A1 Organic Compounds NOVARTIS AG 2010-05-06 US claimed
EP-2146964-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE Novartis Ag (CH) 2010-01-27 EP claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 WO claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
US-9255107-B2 Heteroaryl alkyne compound and use thereof NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2016-02-09 US disclosed
US-20150299202-A1 HETEROARYL ALKYNE COMPOUND AND USE THEREOF NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) 2015-10-22 US disclosed
EP-2927232-A1 HETEROARYL ALKYNE COMPOUND AND APPLICATION THEREOF Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) 2015-10-07 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8217045-B2 Organic compounds NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
US-20100113467-A1 Organic Compounds NOVARTIS AG 2010-05-06 US disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2146964-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE Novartis Ag (CH) 2010-01-27 EP disclosed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP disclosed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 WO disclosed
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors BOLD GUIDO 2008-02-14 US disclosed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS EML4 4560/4885ALK 4002/4885TP53 1069/4885
US-20080039440-A1 Cyclic Diaryl Ureas Suitable as Tyrosine Kinase Inhibitors RET, ROS1, BRAF EML4 4323/4885ALK 39/4885TP53 670/4885
US-20150299202-A1 HETEROARYL ALKYNE COMPOUND AND USE THEREOF ABL1, ALK, ABL2 EML4 2670/4885ALK 2/4885TP53 343/4885
US-20100113467-A1 Organic Compounds SLCO2A1, SLCO1B1, SLCO2B1 EML4 1554/4885ALK 427/4885TP53 686/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 EML4 3988/4885ALK 508/4885TP53 1076/4885

“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.