SCHEMBL4522556

SCHEMBL4522556

CC1(C)NCc2c1nn(C(=O)O)c2NC(=O)c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PRKCB P05771 9/20 0.41
BACE1 P56817 1/20 0.39
TP53 P04637 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
PAK4 O96013 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR1F P30939 1/20 0.37

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
SCHEMBL4532323 0.87 KMT2A (0.42) ALDH1A1TP53NPC1RAB9APAK4
SCHEMBL4701327 0.75 MAPT (0.42) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL1204639 0.75 ALDH1A1 (0.47) ALDH1A1LMNATP53NPC1RAB9A
Hydrochloric Acid SCHEMBL4425813 0.74 MAPT (0.42) ALDH1A1LMNATP53MAPTSMN1; SMN2
SCHEMBL4291472 0.74 FLT3 (0.40) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4291464 0.73 FLT3 (0.40) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1206401 0.72 MAPT (0.43) ALDH1A1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL1206305 0.71 PAK4 (0.41) ALDH1A1LMNAPRKCBTP53NPC1
SCHEMBL19305447 0.70
SCHEMBL12879065 0.69 PAK4 (0.41) ALDH1A1LMNAPRKCBMAPTPAK4

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
EP-1979356-B1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER PROD INC (US) 2013-09-18 EP disclosed
US-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PFIZER INC. 2009-12-24 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-20090318440-A1 CARBONYLAMINO PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS PAK4, PAK5, PAK3 ALDH1A1 2240/4885LMNA 3611/4885PRKCB 132/4885

“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.