SCHEMBL25097484

SCHEMBL25097484

CCc1cc2ncc(C(C)C)cn2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 2/20 0.35
BRAF P15056 1/20 0.35
RAB9A P51151 3/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
POLB P06746 1/20 0.31
NR4A1 P22736 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL21765495 0.88 KDM4E (0.34) HDAC6LMNABRAFRAB9AKDM4E
SCHEMBL24967875 0.80 NPC1 (0.34) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL13086734 0.80 NPC1 (0.36) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL26859104 0.78 SMN1; SMN2 (0.53) LMNABRAFRAB9AKDM4ENPC1
SCHEMBL25680997 0.78 RAB9A (0.41) HDAC6LMNABRAFRAB9AKDM4E
SCHEMBL24869559 0.77 NPC1 (0.39) LMNARAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL18555346 0.77 TDP1 (0.48) LMNARAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL18819911 0.72 ALDH1A1 (0.33) RAB9ANPC1ALDH1A1POLBPDE10A
SCHEMBL18611835 0.72 BRAF (0.36) LMNABRAFRAB9AKDM4ENPC1
SCHEMBL31048036 0.71 KDM4E (0.38) HDAC6LMNABRAFRAB9AKDM4E

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-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 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-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH HDAC6 2861/4885LMNA 1931/4885BRAF 599/4885

“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.