SCHEMBL2464550

SCHEMBL2464550

CCCc1cc(=O)[nH]c(Nc2nc(C)c3ccc(C)cc3n2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.75
MAPT P10636 16/20 0.71
ALDH1A1 P00352 10/20 0.71
KMT2A Q03164 5/20 0.64
MEN1 O00255 2/20 0.64
SMN1; SMN2 Q16637 5/20 0.63
LMNA P02545 5/20 0.63
HTT P42858 4/20 0.63
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 3/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2C19 P33261 3/20 0.63
STAT3 P40763 2/20 0.63
ALPL P05186 2/20 0.63
CYP2D6 P10635 1/20 0.63
XBP1 P17861 1/20 0.63
USP2 O75604 1/20 0.57
EGFR P00533 1/20 0.57
ERBB2 P04626 1/20 0.57
POLB P06746 2/20 0.54

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
SCHEMBL15840752 0.88 CREBBP (0.74) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840609 0.87 STAT3 (0.74) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840754 0.86 CREBBP (0.56) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840769 0.83 STAT3 (0.74) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840585 0.82 MAPT (0.74) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL12473146 0.80 MAPT (0.85) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840684 0.80 MAPT (0.64) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840580 0.80 CREBBP (0.65) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840614 0.79 MAPT (0.64) CREBBPMAPTALDH1A1KMT2AMEN1
SCHEMBL15840788 0.78 MAPT (1.00) CREBBPMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO claimed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO claimed
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2019-01-24 US disclosed
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 WO disclosed
WO-2011113060-A2 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY, INC. (US) 2011-09-15 WO 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 (5 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 CREBBP 1243/4885MAPT 1076/4885ALDH1A1 4348/4885
US-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 CREBBP 1749/4885MAPT 3443/4885ALDH1A1 2506/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 CREBBP 1749/4885MAPT 3443/4885ALDH1A1 2506/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 CREBBP 1749/4885MAPT 3443/4885ALDH1A1 2506/4885
US-20190022100-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 CREBBP 1749/4885MAPT 3443/4885ALDH1A1 2506/4885

“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.