SCHEMBL1663393

SCHEMBL1663393

Nc1ccc2[nH]c(NCC(O)CO)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHEK1 O14757 1/20 0.36
CDK1 P06493 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAD52 P43351 1/20 0.35
PIM1 P11309 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.33
BCHE P06276 1/20 0.33
TRPC3 Q13507 1/20 0.33
TRPC4 Q9UBN4 1/20 0.33

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
SCHEMBL1663397 0.89 RAD52 (0.46) MEN1KMT2ARIPK1ALDH1A1RAB9A
SCHEMBL17488036 0.70 RAB9A (0.50) MEN1KMT2ATP53RAB9ASMN1; SMN2
SCHEMBL1664488 0.70 RAB9A (0.45) MEN1KMT2AALDH1A1TP53RAB9A
SCHEMBL9963684 0.69 FABP4 (0.49) ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL5355854 0.69 LMNA (0.63) MEN1KMT2AMAPKAPK2RPS6KA3CSNK2A1
SCHEMBL17487385 0.68 RAB9A (0.58) MEN1KMT2AALDH1A1TP53RAB9A
SCHEMBL17487324 0.68 RAB9A (0.51) MEN1KMT2AALDH1A1TP53RAB9A
SCHEMBL17487508 0.68 RAB9A (0.44) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL18965905 0.68 CYP3A4 (0.47)
SCHEMBL3947749 0.68 RAD52 (0.53) MEN1KMT2AMAPKAPK2RPS6KA3CSNK2A1

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-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
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
CN-102656141-A Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARM INC 2012-09-05 CN disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (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 MEN1 1370/4885KMT2A 2225/4885CHEK1 4509/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MEN1 1395/4885KMT2A 806/4885CHEK1 3260/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MEN1 1395/4885KMT2A 806/4885CHEK1 3260/4885

“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.