SCHEMBL6459355

SCHEMBL6459355

Cc1cc(NC2CCC(N(C(=O)C(F)(F)F)c3ccc(OCc4ccccc4)cc3)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCNK O75909 8/20 0.41
CDK12 Q9NYV4 8/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
RAB9A P51151 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
CDK13 Q14004 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK14 O94921 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 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
SCHEMBL6457061 0.85 KDM4E (0.48) MCHR1KDM4ELMNASMN1; SMN2CCNK
SCHEMBL6462481 0.83 KDM4E (0.50) MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL6460870 0.83 KDM4E (0.52) MCHR1KDM4ELMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6459347 0.83 SLC6A5 (0.51) MCHR1KDM4ELMNASMN1; SMN2RAB9A
Trifluoroacetic Acid SCHEMBL6927191 0.83 SLC6A5 (0.51) MCHR1KDM4ELMNASMN1; SMN2RAB9A
SCHEMBL6464250 0.81 LMNA (0.50) MCHR1KDM4ELMNASMN1; SMN2CCNK
SCHEMBL6460110 0.77 KDM4E (0.49) MCHR1KDM4ELMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL6876795 0.75 KDM4E (0.50) MCHR1KDM4ELMNASMN1; SMN2
SCHEMBL6463555 0.74 MEN1 (0.42) MCHR1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6930917 0.73 MCHR1 (0.51) MCHR1KDM4ELMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885KDM4E 1190/4885LMNA 3391/4885

“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.