SCHEMBL10104508

SCHEMBL10104508

Cc1cc(N2CCOCC2)c(C)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
NOTUM Q6P988 3/20 0.42
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
SOS1 Q07889 1/20 0.40
AKR1C3 P42330 1/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
SYK P43405 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL10104405 0.86 LMNA (0.43) LMNAALDH1A1KDM4ESMN1; SMN2NOTUM
SCHEMBL10104507 0.83 NOTUM (0.38) LMNAALDH1A1NOTUMTSHR
SCHEMBL10104374 0.82 ADRB2 (0.45) ALDH1A1KDM4EPDE3BPDE3ATSHR
SCHEMBL7911412 0.81 NOTUM (0.54) LMNAALDH1A1KDM4ESMN1; SMN2NOTUM
SCHEMBL10104377 0.78 MAPT (0.42) LMNAALDH1A1
SCHEMBL10104379 0.77 SOS1 (0.37) NOTUMSOS1SYK
SCHEMBL10104375 0.77 ADRB2 (0.41) LMNAALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL10104532 0.75 ALDH1A1 (0.53) LMNAALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL23239909 0.75 MAPT (0.49) LMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL10104478 0.74 CNR1 (0.53) KDM4EPDE3BPDE3APIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 LMNA 993/4885ALDH1A1 175/4885KDM4E 2715/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 LMNA 180/4885ALDH1A1 860/4885KDM4E 1224/4885

“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.