SCHEMBL3466199

SCHEMBL3466199

CC(C)C(=O)Nc1ccc(CN)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
RAB9A P51151 7/20 0.50
NPC1 O15118 5/20 0.50
TP53 P04637 3/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
DEGS1 O15121 1/20 0.40
F10 P00742 1/20 0.40

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
SCHEMBL2642704 0.82 PTK2 (0.57) RAB9AKDM4EL3MBTL1MAPTMEN1
SCHEMBL24932393 0.81 L3MBTL1 (0.55) ALDH1A1RAB9ANPC1TP53KDM4E
SCHEMBL3720037 0.80 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNACYP2C19
Hydrochloric Acid SCHEMBL8722614 0.79 MEN1 (0.43) RAB9ANPC1SMN1; SMN2LMNACYP2C19
Hydrochloric Acid SCHEMBL31647072 0.77 DEGS1 (0.40) RAB9AKDM4ETSHRMAPTMEN1
SCHEMBL15350159 0.77 LOXL2 (0.54) TSHRMAPT
SCHEMBL15986674 0.77 DEGS1 (0.49) ALDH1A1RAB9ANPC1TP53KDM4E
SCHEMBL9891790 0.77 RAB9A (0.68) ALDH1A1RAB9ANPC1TP53KDM4E
SCHEMBL24932307 0.76 TDP1 (0.54) ALDH1A1RAB9ANPC1TP53KDM4E
SCHEMBL3466195 0.76 NNMT (0.63) ALDH1A1RAB9ANPC1TP53KDM4E

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-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 ALDH1A1 523/4885RAB9A 2908/4885NPC1 2064/4885

“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.