SCHEMBL6326191

SCHEMBL6326191

CN(C(=O)CN)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.41
KDR P35968 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL6327047 1.00 IDO1 (0.41) IDO1TDO2KDRMEN1KMT2A
Hydrochloric Acid SCHEMBL6327527 0.92 IDO1 (0.40) IDO1TDO2KDRMEN1KMT2A
Hydrochloric Acid SCHEMBL6327524 0.92 IDO1 (0.40) IDO1TDO2KDRMEN1KMT2A
Hydrochloric Acid SCHEMBL6325525 0.89 IDO1 (0.41) IDO1TDO2KDRMEN1KMT2A
Hydrochloric Acid SCHEMBL6325522 0.89 IDO1 (0.41) IDO1TDO2KDRMEN1KMT2A
SCHEMBL6322249 0.89 IDO1 (0.41) IDO1TDO2KDRMEN1KMT2A
SCHEMBL6322255 0.89 IDO1 (0.41) IDO1TDO2KDRMEN1KMT2A
SCHEMBL4484437 0.89 BACE1 (0.42) KDRNPC1RAB9AGABRPGABRD
SCHEMBL4505730 0.89 GABRP (0.45) IDO1TDO2KDRNPC1POLB
SCHEMBL4484432 0.89 BACE1 (0.42) KDRNPC1RAB9AGABRPGABRD

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-20050171185-A1 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD., A JAPANESE CORPORATION 2005-08-04 US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
EP-1070705-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP 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-20050171185-A1 Indole derivatives PDE5A, IGFBP5, HTR5A IDO1 19/4885TDO2 125/4885KDR 2062/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 IDO1 232/4885TDO2 762/4885KDR 448/4885

“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.