SCHEMBL13836675

SCHEMBL13836675

CN(C)c1ccc(C(=O)Nc2ccc3nc(-c4ccc5[nH]ccc5c4)[nH]c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
MMP8 P22894 3/20 0.51
MMP13 P45452 3/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
KDR P35968 2/20 0.49
POLB P06746 2/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
LMNA P02545 1/20 0.49
CHEK2 O96017 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 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
SCHEMBL8767521 0.93 NPC1 (0.51) ATMMAPTMMP2MMP9MMP8
SCHEMBL13836618 0.92 ATM (0.53) ATMMAPTSMN1; SMN2MMP2MMP9
SCHEMBL12789172 0.87 MAOA (0.52) MAPTMMP2MMP9MMP8MMP13
SCHEMBL8767720 0.86 ESR1 (0.50) ATMMAPTSMN1; SMN2MMP2MMP9
SCHEMBL6128207 0.84 MMP2 (0.65) ATMMAPTSMN1; SMN2MMP2MMP9
SCHEMBL1664542 0.83 NPC1 (0.70) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6119644 0.82 HPSE (0.61) ATMMAPTSMN1; SMN2MMP2MMP9
SCHEMBL13836402 0.82 MAPT (0.54) ATMMAPTSMN1; SMN2MMP2MMP9
SCHEMBL8770642 0.82 HPSE (0.61) ATMMAPTSMN1; SMN2MMP2MMP9
SCHEMBL8768776 0.82 HPSE (0.61) ATMMAPTSMN1; SMN2MMP2MMP9

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-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL ATM 3747/4885MAPT 4622/4885SMN1; SMN2 3850/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ATM 2698/4885MAPT 4411/4885SMN1; SMN2 941/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ATM 2698/4885MAPT 4411/4885SMN1; SMN2 941/4885

“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.