SCHEMBL13149376

SCHEMBL13149376

Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)n(C)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.64
▸ PKM P14618 2/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.54
▸ HSD17B10 Q99714 2/20 0.53
▸ SLC6A7 Q99884 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49

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
SCHEMBL9203028 0.79 MEN1 (0.52) CYP2C19MAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL13149845 0.78 ALDH1A1 (0.52) CYP1A2USP2SMN1; SMN2TSHRALDH1A1
SCHEMBL14930399 0.76 SMN1; SMN2 (0.51) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL766329 0.75 RBP4 (0.57) CYP1A2CYP2C19CYP3A4ALDH1A1
SCHEMBL13149368 0.73 LMNA (0.56) KDM4EPKMHSD17B10CYP2C19MAPK1
SCHEMBL13242427 0.72 NR2E1 (0.53) NPSR1CYP1A2CYP2C19MAPTCYP3A4
SCHEMBL15718708 0.71 ALDH1A1 (0.43) KDM4ECYP1A2CYP2C19SMN1; SMN2CYP3A4
SCHEMBL1919434 0.71 MEN1 (0.73) KDM4EPKMHSD17B10SLC6A7CYP1A2
SCHEMBL27580589 0.70 KDM4E (0.62) KDM4EPKMHSD17B10SLC6A7CYP1A2
SCHEMBL13149735 0.70 SIGMAR1 (0.57) KDM4ELMNAALDH1A1

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
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 — — 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 (3 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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 KDM4E 280/4885PKM 3265/4885NPSR1 89/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 KDM4E 280/4885PKM 3265/4885NPSR1 89/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 KDM4E 280/4885PKM 3265/4885NPSR1 89/4885

“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.

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