SCHEMBL21396945

SCHEMBL21396945

N#Cc1cc(-c2ccc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)nc2)ccc1N1c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
ACVR1B P36896 2/20 0.34
ACVRL1 P37023 2/20 0.34
ACVR1 Q04771 2/20 0.34
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FLT3 P36888 1/20 0.32
CNR2 P34972 1/20 0.32
AR P10275 1/20 0.31
CYP11B2 P19099 2/20 0.31
CYP11B1 P15538 1/20 0.31
PDK2 Q15119 1/20 0.31
KDM4E B2RXH2 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL21396694 0.89 ALDH1A1 (0.35) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL21396724 0.88 BMPR1B (0.31) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL21396740 0.86 ALDH1A1 (0.34) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL21397158 0.83 PDK2 (0.37) ALDH1A1PDK2KDM4EL3MBTL1
SCHEMBL21397130 0.81 ALDH1A1 (0.35) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL21396947 0.81 PDK2 (0.33) PDK2
SCHEMBL21396946 0.80 CYP11B1 (0.35) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL22147499 0.80 ALDH1A1 (0.38) ALDH1A1NPSR1TDP1KDM4ECYP1A2
SCHEMBL21397037 0.79 FNTA (0.35) BMPR1BBMPR1AACVR1BACVRL1ACVR1
SCHEMBL21397027 0.77 ALDH1A1 (0.36) BMPR1BBMPR1AACVR1BACVRL1ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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 (1 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 BMPR1B 1768/4885BMPR1A 1359/4885ACVR1B 2932/4885

“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.