SCHEMBL16019495

SCHEMBL16019495

c1ccc2c(c1)[nH]c1nc(CN3CCCCC3)ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
CHRNA7 P36544 1/20 0.46
KDM4E B2RXH2 5/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
JAK2 O60674 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
GRIN2B Q13224 1/20 0.41
CHEK1 O14757 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
DRD2 P14416 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
CA5A P35218 1/20 0.39

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
SCHEMBL16019513 0.87 HTR2A (0.50) HTTKDM4ELMNAALDH1A1HTR2A
SCHEMBL16019515 0.87 HPGD (0.49) KDM4ELMNAMAPK1ALDH1A1HPGD
SCHEMBL6646879 0.77 HPGD (0.46) HTTKDM4ELMNAMAPK1ALDH1A1
SCHEMBL6648562 0.77 HPGD (0.46) HTTKDM4ELMNAMAPK1ALDH1A1
SCHEMBL16019518 0.76 CA5A (0.46) KDM4ERAB9AALDH1A1HSD17B10CYP1A2
SCHEMBL16019481 0.76 ALDH1A1 (0.49) KDM4ELMNARAB9AALDH1A1HPGD
SCHEMBL8809519 0.75 HSD17B10 (0.45) HTTKDM4ELMNAMAPK1ALDH1A1
SCHEMBL16019492 0.75 ALDH1A1 (0.50) KDM4ELMNAMAPK1RAB9AALDH1A1
SCHEMBL16019516 0.73 GABRP (0.47) CHRNA7KDM4ERAB9AALDH1A1HPGD
SCHEMBL30789845 0.73 CA5A (0.44) KDM4ERAB9AALDH1A1HSD17B10HTR2A

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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 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-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTT 1589/4885CHRNA7 3368/4885KDM4E 580/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTT 1589/4885CHRNA7 3368/4885KDM4E 580/4885

“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.