SCHEMBL21892439

SCHEMBL21892439

CNc1ccc(C2Cc3ccccc3N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
BRD4 O60885 2/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
PRCP P42785 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC18A3 Q16572 3/20 0.35
CREBBP Q92793 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL13964615 0.81 AR (0.46) ARBRD4MAPTGAAPRCP
SCHEMBL4978935 0.81 PRCP (0.55) ARBRD4MAPTGAAPRCP
SCHEMBL29779937 0.81 PRCP (0.55) ARBRD4MAPTGAAPRCP
SCHEMBL2998270 0.78 AR (0.46) ARBRD4MAPTGAAPRCP
SCHEMBL30101768 0.78 AR (0.46) ARBRD4MAPTGAAPRCP
SCHEMBL13964738 0.77 KDM4E (0.53) ARMAPTGAAKDM4EMEN1
SCHEMBL19155153 0.70 AR (0.42) ARBRD4MAPTGAAPRCP
SCHEMBL22857208 0.70 AR (0.42) ARBRD4MAPTGAAPRCP
SCHEMBL22200115 0.70 AR (0.42) ARBRD4MAPTGAAPRCP
SCHEMBL7900671 0.69 CHRNB2 (0.50) ARMAPTGAAKDM4EMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147334-A9 13-OXIDIZED INGENOL DERIVATIVE AND USE THEREOF Tianjin Zhongxin Pharmaceutical Group Corp., Ltd. Research Institute Branch Company (CN) 2021-05-20 US disclosed
US-20200140369-A1 13-OXIDIZED INGENOL DERIVATIVE AND USE THEREOF Tianjin Zhongxin Pharmaceutical Group Corp., Ltd. Research Institute Branch Company (CN) 2020-05-07 US disclosed
EP-3636628-A1 13-OXIDIZED INGENOL DERIVATIVE AND USE THEREOF Tianjin Zhongxin Pharmaceutical Group Corp., Ltd. Research Institute Branch Company (CN) 2020-04-15 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-20210147334-A9 13-OXIDIZED INGENOL DERIVATIVE AND USE THEREOF MMP8, CXCL8, PMAIP1 AR 2661/4885BRD4 2665/4885MAPT 4800/4885
US-20200140369-A1 13-OXIDIZED INGENOL DERIVATIVE AND USE THEREOF MMP8, CXCL8, PMAIP1 AR 2661/4885BRD4 2665/4885MAPT 4800/4885

“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.