SCHEMBL3466469

SCHEMBL3466469

CC[C](CC)c1ccnc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.36
IDO1 P14902 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
PREP P48147 1/20 0.33
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
KDM4C Q9H3R0 2/20 0.31

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
SCHEMBL3120987 0.84 AR (0.43) ARCYP1A2POLBKDM4EIDO1
SCHEMBL27827224 0.82 AR (0.40) ARCYP1A2POLBKDM4EIDO1
SCHEMBL3465820 0.81 IDO1 (0.38) ARCYP1A2POLBKDM4EIDO1
SCHEMBL30770731 0.81 ATM (0.45) ARKDM4ETSHRKDM1AHDAC1
SCHEMBL568309 0.81 ATM (0.45) ARKDM4ETSHRKDM1AHDAC1
Bromide SCHEMBL27949951 0.79 ATM (0.44) ARKDM4ETSHRKDM1AHDAC1
SCHEMBL3465859 0.77 IDO1 (0.39) ARCYP1A2POLBKDM4EIDO1
SCHEMBL19151589 0.74 KDM4E (0.39) ARCYP1A2POLBKDM4EIDO1
SCHEMBL17441422 0.74 HPGD (0.47) ARKDM4ELMNACYP3A4TSHR
SCHEMBL5700471 0.73 IDO1 (0.37) ARCYP1A2POLBKDM4EIDO1

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-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
CN-102227425-A Azaindazole compounds as ccr1 receptor antagonists BOEHRINGER INGELHEIM INT 2011-10-26 CN 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 (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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 AR 1940/4885CYP1A2 1093/4885POLB 2974/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 AR 4299/4885CYP1A2 811/4885POLB 1195/4885

“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.