SCHEMBL20627482

SCHEMBL20627482

CC(C)(C)OC(=O)Nc1ccc(Nc2ncc(Br)cc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.47
MAPKAPK2 P49137 7/20 0.47
MAP4K4 O95819 1/20 0.47
BRD4 O60885 1/20 0.42
NAMPT P43490 1/20 0.42
CDK1 P06493 1/20 0.42
RORC P51449 1/20 0.42
SYK P43405 2/20 0.41
CYP17A1 P05093 1/20 0.41
EGFR P00533 1/20 0.40
RAF1 P04049 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
AURKB Q96GD4 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL30418822 1.00 PRMT1 (0.47) PRMT1MAPKAPK2MAP4K4BRD4NAMPT
SCHEMBL858165 0.86 AAK1 (0.42) MAPKAPK2MAP4K4RORCHDAC1
SCHEMBL30419454 0.82 PRMT1 (0.53) PRMT1MAPKAPK2MAP4K4BRD4NAMPT
SCHEMBL20721699 0.82 PRMT1 (0.53) PRMT1MAPKAPK2MAP4K4BRD4NAMPT
SCHEMBL20603973 0.81 FLT3 (0.44) EGFRRAF1KDR
SCHEMBL14342358 0.80 NAMPT (0.50) PRMT1MAPKAPK2MAP4K4BRD4NAMPT
SCHEMBL30419946 0.79 CA12 (0.51) PRMT1MAPKAPK2MAP4K4BRD4NAMPT
SCHEMBL20721722 0.79 CA12 (0.51) PRMT1MAPKAPK2MAP4K4BRD4NAMPT
SCHEMBL27868742 0.79 AAK1 (0.41) MAPKAPK2MAP4K4
SCHEMBL20721703 0.78 NPC1 (0.36) EGFR

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
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 CN disclosed
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2020-05-12 US disclosed
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
EP-3424924-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Ancureall Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-01-09 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-20190047964-A1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF FLT3, WEE1, SLC14A1 PRMT1 156/4885MAPKAPK2 169/4885MAP4K4 372/4885
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof FLT3, WEE1, SLC14A1 PRMT1 156/4885MAPKAPK2 169/4885MAP4K4 372/4885

“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.