SCHEMBL20730388

SCHEMBL20730388

CC(C)CNc1cc(C2CC2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.39
ESR1 P03372 7/20 0.38
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
KMT2A Q03164 1/20 0.34
SMYD3 Q9H7B4 1/20 0.32
ESR2 Q92731 1/20 0.32
BRAF P15056 1/20 0.32
HRH4 Q9H3N8 5/20 0.31
ALPL P05186 1/20 0.31

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
SCHEMBL4291275 0.84 CYP1A2 (0.35) IGF1RDRD2DRD4DRD3KMT2A
SCHEMBL26547899 0.78 KMT2A (0.36) IGF1RDRD2DRD4DRD3KMT2A
SCHEMBL18373037 0.75 DRD2 (0.38) DRD2DRD4DRD3KMT2A
SCHEMBL23943060 0.73 ESR1 (0.42) IGF1RESR1ESR2HRH4ALPL
SCHEMBL1106976 0.72 CCNA2 (0.40) IGF1R
SCHEMBL20730399 0.70 ESR1 (0.40) ESR1KMT2AESR2
SCHEMBL21959665 0.70 DRD2 (0.35) DRD2DRD4DRD3KMT2A
SCHEMBL23763330 0.69 KMT2A (0.44) DRD2DRD4DRD3KMT2AHRH4
SCHEMBL23943006 0.69 ESR1 (0.39) ESR1ESR2ALPL
SCHEMBL5487500 0.69 CDK2 (0.38) IGF1R

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-10647680-B2 Urea compound, preparation method therefor and medical use thereof ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-05-12 US disclosed
US-20190047964-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-02-14 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-20190047964-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FLT3, WEE1, SLC14A1 IGF1R 983/4885ESR1 3801/4885DRD2 4830/4885
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof FLT3, WEE1, SLC14A1 IGF1R 983/4885ESR1 3801/4885DRD2 4830/4885

“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.