SCHEMBL10175372

SCHEMBL10175372

CCc1ccncc1C(=O)OCCN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
THPO P40225 1/20 0.48
PMP22 Q01453 1/20 0.47
GAA P10253 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR4 Q13639 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL10174676 0.99 KMT2A (0.50) KMT2AHPGDMEN1TSHRCYP2D6
SCHEMBL10174502 0.80 KMT2A (0.65) KMT2AHPGDMEN1TSHRCYP2D6
SCHEMBL18149317 0.76 TSHR (0.52) KMT2AMEN1TSHRALDH1A1CYP1A2
SCHEMBL9392524 0.72 KMT2A (0.51) KMT2AHPGDMEN1TSHRCYP2D6
SCHEMBL4074620 0.72 KDM4E (0.57) KMT2AHPGDTSHRALDH1A1GAA
SCHEMBL30465486 0.72 KDM4E (0.57) KMT2AHPGDTSHRALDH1A1GAA
SCHEMBL4640764 0.70 HRH3 (0.49) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL11335713 0.70 KMT2A (0.71) KMT2AHPGDMEN1TSHRCYP2D6
SCHEMBL17950860 0.70 ALDH1A1 (0.40) CYP2D6ALDH1A1GAAGLAKDM4E
SCHEMBL14369834 0.70 ALDH1A1 (0.75) KMT2AHPGDMEN1TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 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-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 KMT2A 2009/4885HPGD 518/4885MEN1 4687/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 KMT2A 1817/4885HPGD 449/4885MEN1 4641/4885

“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.