SCHEMBL1080002

SCHEMBL1080002

Cc1cccc(NC(=O)CN2CCNCC2)c1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50

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
SCHEMBL1777934 0.85 ALDH1A1 (0.57) MEN1KMT2APOLBLMNAALDH1A1
Hydrochloric Acid SCHEMBL8554173 0.82 ALDH1A1 (0.55) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL9031046 0.79 DRD4 (0.60) MEN1KMT2APOLBHSD17B10MAPT
SCHEMBL6015071 0.79 NPC1 (0.60) KMT2APOLBMAPTTHRB
SCHEMBL3256686 0.78 KMT2A (0.76) MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL1646834 0.77 ALDH1A1 (0.76) MEN1KMT2APOLBMAPTLMNA
SCHEMBL4559296 0.77 ALDH1A1 (0.60) MEN1KMT2APOLBMAPTLMNA
SCHEMBL20964697 0.77 POLB (0.66) MEN1KMT2APOLBHSD17B10MAPT
SCHEMBL4559855 0.77 POLB (0.53) KMT2APOLBMAPTALDH1A1
SCHEMBL10914817 0.77 ALDH1A1 (0.71) MEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435980-B2 Pyrrolopyridine inhibitors of kinases ABBVIE INC. (US) 2013-05-07 US disclosed
US-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 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-20110015173-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES CDC7, MAP3K7, CDK1 MEN1 1060/4885KMT2A 1151/4885POLB 251/4885
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 MEN1 4340/4885KMT2A 2079/4885POLB 1210/4885

“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.