SCHEMBL18540899

SCHEMBL18540899

O=C(Cc1ccccn1)Nc1nnc(CC2CCC(c3nnc(NC(=O)Cc4ccccn4)s3)C2)s1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLS O94925 19/20 0.83
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL20712283 1.00 GLS (0.83) GLSNPC1ALDH1A1MAPTRAB9A
SCHEMBL21501873 1.00 GLS (0.83) GLSNPC1ALDH1A1MAPTRAB9A
SCHEMBL17223848 1.00 GLS (0.83) GLSNPC1ALDH1A1MAPTRAB9A
SCHEMBL17223842 1.00 GLS (0.83) GLSNPC1ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL18527463 0.99 GLS (0.81) GLSNPC1ALDH1A1MAPTRAB9A
SCHEMBL21501861 0.95 GLS (0.76) GLSNPC1ALDH1A1MAPTRAB9A
SCHEMBL21325734 0.95 GLS (0.76) GLSNPC1ALDH1A1MAPTRAB9A
SCHEMBL21501842 0.95 GLS (0.76) GLSNPC1ALDH1A1MAPTRAB9A
SCHEMBL20712333 0.95 GLS (0.76) GLSNPC1ALDH1A1MAPTRAB9A
SCHEMBL21501822 0.95 GLS (0.76) GLSNPC1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676471-B2 Cycloalkyl-linked diheterocycle derivatives PFIZER INC. (US) 2020-06-09 US disclosed
EP-3137460-B1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES PFIZER (US) 2019-10-23 EP disclosed
EP-3556757-A1 CYCLOALKYL-LINKED DIHETEROCYCLE DERIVATIVES Pfizer Inc (US) 2019-10-23 EP disclosed
US-20190270737-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2019-09-05 US disclosed
US-20190040055-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2019-02-07 US disclosed
US-20180148441-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148441-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2018-05-31 US disclosed
US-20170050958-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2017-02-23 US disclosed
US-20170050958-A1 Cycloalkyl-Linked Diheterocycle Derivatives PFIZER INC. (US) 2017-02-23 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 (5 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-20180148441-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 GLS 550/4885NPC1 1494/4885ALDH1A1 2190/4885
US-20190270737-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 GLS 550/4885NPC1 1494/4885ALDH1A1 2190/4885
US-10676471-B2 Cycloalkyl-linked diheterocycle derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 GLS 550/4885NPC1 1494/4885ALDH1A1 2190/4885
US-20170050958-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 GLS 550/4885NPC1 1494/4885ALDH1A1 2190/4885
US-20190040055-A1 Cycloalkyl-Linked Diheterocycle Derivatives CCNY, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCND2 GLS 550/4885NPC1 1494/4885ALDH1A1 2190/4885

“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.