SCHEMBL10219844

SCHEMBL10219844

Nc1cc(Br)cc(C=O)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.37
TERT O14746 1/20 0.33
APP P05067 1/20 0.33
BACE1 P56817 2/20 0.32
ERN1 O75460 1/20 0.32
CCR1 P32246 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PABPC1 P11940 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL2492679 0.84 CCR1 (0.39) TERTAPPERN1CCR1ALDH1A1
SCHEMBL9772995 0.77 CCR1 (0.34) TERTERN1CCR1ALDH1A1
SCHEMBL29589485 0.77 CCR1 (0.34) TERTERN1CCR1ALDH1A1
SCHEMBL1181671 0.75
SCHEMBL28706651 0.74 NOS2 (0.41) NOS2TERTCCR1CYP3A4BLM
SCHEMBL28750609 0.74 ERN1 (0.32) ERN1CCR1ALDH1A1
SCHEMBL16983094 0.74 ERN1 (0.41) TERTAPPERN1CCR1ALDH1A1
SCHEMBL3776650 0.74 CCR1 (0.37) ERN1CCR1MAPTALDH1A1
SCHEMBL29956511 0.70 HTR6 (0.36) CCR1MAPT
SCHEMBL28664997 0.69 NT5E (0.38) TERTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-8101621-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2012-01-24 US disclosed
US-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-30 US disclosed
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action OHKUBO MITSURU 2008-01-31 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-20090192174-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action RB1, AURKA, AURKC NOS2 3559/4885TERT 2301/4885APP 4353/4885
US-20080027042-A1 Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action AURKA, AURKC, AURKB NOS2 2426/4885TERT 2413/4885APP 4084/4885

“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.