SCHEMBL6070849

SCHEMBL6070849

CCC(=O)Nc1ccc(C(=O)/C=C/N(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MAPT P10636 7/20 0.57
RAB9A P51151 6/20 0.57
NPC1 O15118 3/20 0.57
KMT2A Q03164 3/20 0.57
HPGD P15428 3/20 0.55
LMNA P02545 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
RECQL P46063 2/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.51
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
THRB P10828 1/20 0.49
HSP90AA1 P07900 1/20 0.49
GAA P10253 2/20 0.48
ATM Q13315 1/20 0.47
TUBB4A P04350 1/20 0.47

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
SCHEMBL5818557 1.00 ALDH1A1 (0.57) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL7364611 0.83 ALDH1A1 (0.67) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL525132 0.83 ALDH1A1 (0.67) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL6071499 0.83 RAB9A (0.60) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL5821517 0.83 RAB9A (0.60) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL23251385 0.80 MAPT (0.81) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL5821526 0.79 NAMPT (0.54) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL5821528 0.79 NAMPT (0.54) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL5821327 0.79 ALDH1A1 (0.56) ALDH1A1MAPTRAB9ANPC1KMT2A
SCHEMBL6071397 0.79 ALDH1A1 (0.56) ALDH1A1MAPTRAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 US disclosed
US-4521422-A ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS AMERICAN CYANAMID COMPANY (US) 1985-06-04 US disclosed
EP-0129847-A2 Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP 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-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS ALDH1A1 847/4885MAPT 4164/4885RAB9A 3615/4885

“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.