SCHEMBL10104405

SCHEMBL10104405

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NOTUM Q6P988 3/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
AKR1C3 P42330 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MCOLN3 Q8TDD5 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
SCHEMBL10104508 0.86 LMNA (0.44) LMNAALDH1A1KDM4ESMN1; SMN2NOTUM
SCHEMBL10104392 0.85 HTR2A (0.38) ALDH1A1SMN1; SMN2NOTUMMAPTTSHR
SCHEMBL10104401 0.84 HTR2A (0.37) ALDH1A1NOTUMTSHR
SCHEMBL10104326 0.83 ADRB2 (0.44) ALDH1A1KDM4ESMN1; SMN2PDE3BPDE3A
SCHEMBL7911412 0.79 NOTUM (0.54) LMNAALDH1A1KDM4ESMN1; SMN2NOTUM
SCHEMBL10104333 0.79 ALDH1A1 (0.42) LMNAALDH1A1MAPT
SCHEMBL10104394 0.79 HSD11B1 (0.36) LMNAALDH1A1KDM4EMAPT
SCHEMBL10104332 0.78 ADRB2 (0.40) LMNAALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL10104334 0.78 SOS1 (0.37) NOTUM
SCHEMBL10104391 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
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
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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 (3 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 LMNA 302/4885ALDH1A1 75/4885KDM4E 3042/4885
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.