SCHEMBL21475615

SCHEMBL21475615

c1ccc(Nc2c(-c3ccccc3)ccc3ccc(-c4ccccc4)cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
KDM1A O60341 1/20 0.41
PDE5A O76074 1/20 0.41
CSF1R P07333 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
PLAU P00749 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ATM Q13315 2/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL30094365 1.00 ALK (0.41) ALKESR1ESR2KDM1APDE5A
SCHEMBL4979017 0.84 HSD17B10 (0.48) KDM1APDE5AMEN1KMT2AABCG2
SCHEMBL4232444 0.83 ALDH1A1 (0.42) KDM1APDE5AKMT2AALDH1A1CYP3A4
SCHEMBL27575497 0.80 KDM1A (0.49) ALKESR1ESR2KDM1APDE5A
SCHEMBL23780947 0.79 ALDH1A1 (0.41) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL31462885 0.79 ALDH1A1 (0.49) ALKMEN1KMT2AALDH1A1CYP3A4
SCHEMBL31462875 0.79 ALDH1A1 (0.49) ALKMEN1KMT2AALDH1A1CYP3A4
SCHEMBL31539913 0.79 ALDH1A1 (0.49) ALKMEN1KMT2AALDH1A1CYP3A4
SCHEMBL26427686 0.79 ALDH1A1 (0.49) ALKMEN1KMT2AALDH1A1CYP3A4
SCHEMBL24944450 0.79 ALDH1A1 (0.49) ALKMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2022-11-29 US disclosed
US-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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 (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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF SLC7A1, WEE1, SLC7A5 ALK 769/4885ESR1 2288/4885ESR2 2357/4885
US-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof SLC7A1, WEE1, SLC7A5 ALK 769/4885ESR1 2288/4885ESR2 2357/4885

“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.