SCHEMBL5780985

SCHEMBL5780985

Cc1nc(C#N)cc(N)c1Br

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
MBOAT4 Q96T53 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 1/20 0.32
TERT O14746 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
SCHEMBL11942293 0.80 HSD17B10 (0.38) KDM4EEGLN2MBOAT4HTT
SCHEMBL14853157 0.80 KDM4E (0.33) LMNAKDM4EEGLN2MBOAT4
SCHEMBL25239817 0.77 MBOAT4 (0.37) KDM4EEGLN2MBOAT4SMN1; SMN2RXFP1
SCHEMBL30478351 0.77 MBOAT4 (0.37) KDM4EEGLN2MBOAT4SMN1; SMN2RXFP1
SCHEMBL18299185 0.77 KDM4E (0.35) KDM4EEGLN2MBOAT4
SCHEMBL20606954 0.73 MAPK8 (0.42) SMN1; SMN2
SCHEMBL5780559 0.73 LMNA (0.44) LMNAKDM4ETERT
SCHEMBL14853156 0.72 KDM4E (0.41) KDM4EEGLN2MBOAT4SMN1; SMN2HTT
SCHEMBL11986178 0.72 LMNA (0.34) LMNAKDM4EEGLN2MBOAT4SMN1; SMN2
SCHEMBL29257731 0.69 LMNA (0.41) LMNAKDM4ETERT

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-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
US-8741897-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2014-06-03 US disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
US-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 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 (1 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-20050176706-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof NR3C1, NR3C2, MC2R LMNA 3037/4885KDM4E 4063/4885EGLN2 4467/4885

“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.