SCHEMBL14250628

SCHEMBL14250628

CC1CN(c2nc(C(C)C)c(-c3ccccc3)cc2C#N)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
IGF1R P08069 1/20 0.37
CSNK1E P49674 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
KHK P50053 2/20 0.36
KIT P10721 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
IDH1 O75874 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL15900544 1.00 PRKCQ (0.37) PRKCQPRKCDIGF1RCSNK1ECYP1A2
SCHEMBL20458504 0.90 CSNK1E (0.38) PRKCQPRKCDCSNK1ECNR1CNR2
SCHEMBL15906807 0.86 TAAR1 (0.46) CYP1A2CYP2C9CYP2C19NPSR1CNR1
SCHEMBL14250405 0.82 TAAR1 (0.37) PRKCQPRKCDNPSR1KITALDH1A1
SCHEMBL14318172 0.82 TAAR1 (0.37) PRKCQPRKCDNPSR1KITALDH1A1
SCHEMBL14251679 0.79 IGF1R (0.39) IGF1RCSNK1ENPSR1KHKKIT
SCHEMBL15900622 0.79 IGF1R (0.39) IGF1RCSNK1ENPSR1KHKKIT
SCHEMBL29654298 0.77 PDE10A (0.46) ALDH1A1KDM4EL3MBTL1HPGDTDP1
SCHEMBL15906759 0.76 IDH1 (0.54) IDH1
SCHEMBL15900580 0.76 IDH1 (0.54) IDH1

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
EP-2721019-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-08 EP disclosed
US-9856279-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
US-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-07-31 US disclosed
EP-2721019-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2014-04-23 EP disclosed
WO-2012171337-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-12-20 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 (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-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, TP53, MCL1 PRKCQ 2175/4885PRKCD 3226/4885IGF1R 4544/4885
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 PRKCQ 1438/4885PRKCD 2978/4885IGF1R 4509/4885

“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.