SCHEMBL19513331

SCHEMBL19513331

CCCC(C)(C)c1ccc2cn[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.57
NOS1 P29475 3/20 0.45
MAPT P10636 3/20 0.45
DYRK1A Q13627 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
FGFR1 P11362 8/20 0.42
FGFR2 P21802 5/20 0.42
FGFR3 P22607 2/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL20970352 0.88 NOS1 (0.49) METAP2NOS1MAPTDYRK1AKDM4E
SCHEMBL13267320 0.87 METAP2 (0.60) METAP2NOS1MAPTDYRK1AKDM4E
SCHEMBL13930937 0.81 METAP2 (0.60) METAP2NOS1MAPTDYRK1AKDM4E
SCHEMBL84508 0.80 METAP2 (0.68) METAP2NOS1MAPTDYRK1AKDM4E
SCHEMBL20272864 0.79 METAP2 (0.50) METAP2NOS1MAPTDYRK1AKDM4E
SCHEMBL19304131 0.78 METAP2 (0.47) METAP2NOS1MAPTDYRK1AKDM4E
SCHEMBL26121430 0.77 METAP2 (0.64) METAP2NOS1MAPTDYRK1AKDM4E
SCHEMBL21389715 0.77 METAP2 (0.64) METAP2NOS1MAPTDYRK1AKDM4E
SCHEMBL21363598 0.75 METAP2 (0.43) METAP2NOS1MAPTDYRK1AKDM4E
SCHEMBL11888515 0.74 NOS1 (0.51) METAP2NOS1MAPTDYRK1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-19 US disclosed
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-26 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 (2 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-10000466-B2 Substituted 4,5,6,7-tetrahydropyrazolo[3,4-c]pyridines as factor XIa inhibitors F12, TFPI, F11 METAP2 728/4885NOS1 3526/4885MAPT 4612/4885
US-20170305880-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, TFPI2, KLKB1 METAP2 590/4885NOS1 2831/4885MAPT 4337/4885

“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.