SCHEMBL16543598

SCHEMBL16543598

CC(C)(C)c1cc2[nH]ccc2cc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.41
▸ METAP2 P50579 3/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ SQOR Q9Y6N5 1/20 0.39
▸ FEN1 P39748 1/20 0.37
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ CBFB Q13951 3/20 0.36
▸ METAP1 P53582 3/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ CFTR P13569 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CHEK1 O14757 1/20 0.35

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
SCHEMBL16547578 0.81 CBFB (0.48) PRKCIMETAP2JAK2CTNNB1WNT3A
SCHEMBL8957490 0.78 NPC1 (0.49) FEN1CTNNB1WNT3AGHSRNPC1
SCHEMBL8957480 0.77 GPR84 (0.48) NPC1CFTRRAB9ACYP1A2POLB
SCHEMBL8957505 0.74 NUDT1 (0.43) GHSRTLR8TLR7MAPK1
SCHEMBL8957508 0.73 TRPA1 (0.40) KDM4ETDP1
SCHEMBL8957513 0.72 ALDH1A1 (0.44) CTNNB1WNT3AGHSRKDM4ECFTR
SCHEMBL7085431 0.71 NPC1 (0.61) CTNNB1WNT3AKDM4ENPC1SMN1; SMN2
SCHEMBL9258894 0.70 KDM4E (0.50) PRKCIMETAP2SQORMETAP1KDM4E
SCHEMBL19229871 0.70 KDM4E (0.44) METAP2SQORCBFBMETAP1KDM4E
SCHEMBL12204551 0.70 METAP2 (0.50) METAP2SQORMETAP1KDM4ENPC1

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-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 — — 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-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PRKCI 1296/4885METAP2 1756/4885JAK2 4745/4885

“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.

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