SCHEMBL4799345

SCHEMBL4799345

Nc1ccc(-n2nnc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.65
KDM4E B2RXH2 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
KCNMA1 Q12791 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
THPO P40225 1/20 0.50
CYP4Z1 Q86W10 1/20 0.50
DHODH Q02127 1/20 0.47
SLC9A1 P19634 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL12204565 0.90 SMN1; SMN2 (0.62) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL15632082 0.85 SMN1; SMN2 (0.57) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL165333 0.84 SMN1; SMN2 (0.71) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3977744 0.81 TDP1 (0.56) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL16614107 0.81 SMN1; SMN2 (0.58) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL172700 0.81 ALDH1A1 (0.56) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL19027912 0.81 RAB9A (0.61) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL503004 0.81 KCNMA1 (0.59) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL10069688 0.81 SMN1; SMN2 (0.54) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL18393241 0.81 SMN1; SMN2 (0.54) NPC1KDM4EL3MBTL1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424924-B1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2023-05-24 EP disclosed
EP-3424924-B1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2023-05-24 EP disclosed
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
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
CN-109071523-A Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2018-12-21 CN disclosed
US-7414048-B2 4,5-dihydro-isoxazole derivatives and their pharmaceutical use JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 US disclosed
EP-1119568-B1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 EP disclosed
US-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use FREYNE EDDY JEAN EDGARD (BE) 2004-01-29 US disclosed
US-6583141-B1 T cell mediated rheumatic diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-24 US disclosed
EP-1119568-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2001-08-01 EP disclosed
WO-2000021959-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-20 WO 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 (3 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 NPC1 2390/4885KDM4E 2072/4885L3MBTL1 3829/4885
US-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use CBR1, CYP2D6, HSD3B1 NPC1 571/4885KDM4E 2853/4885L3MBTL1 4719/4885
US-10647680-B2 Urea compound, preparation method therefor and medical use thereof FLT3, WEE1, SLC14A1 NPC1 2390/4885KDM4E 2072/4885L3MBTL1 3829/4885

“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.