SCHEMBL4569294

SCHEMBL4569294

Oc1ccnn2ccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 3/20 0.38
AXL P30530 1/20 0.38
CDK2 P24941 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BMP4 P12644 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
G6PD P11413 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3A P49840 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
IRAK4 Q9NWZ3 3/20 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
Hydrochloric Acid SCHEMBL3702394 0.98 SMPD3 (0.37) SMPD3AXLCDK2NPC1RAB9A
SCHEMBL14699684 0.74 SMPD3 (0.57) SMPD3AXLCDK2BMP4IRAK4
SCHEMBL3122125 0.74 SMPD3 (0.38) SMPD3AXLCDK2BMP4LMNA
SCHEMBL9935120 0.74 SMPD3 (0.38) SMPD3AXLCDK2BMP4NUDT1
SCHEMBL12970192 0.74 CCNE1 (0.47) CDK2BMP4IRAK4
Hydrochloric Acid SCHEMBL31619326 0.72 SMPD3 (0.38) SMPD3AXLCDK2NPC1RAB9A
SCHEMBL2661228 0.72 ALDH1A1 (0.49) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL20199464 0.72 GSK3A (0.42) RAB9ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL2380423 0.71 IRAK4 (0.51) KDM4EMAPTGSK3AHPGDHSD17B10
SCHEMBL179560 0.70 PDE10A (0.38) SMPD3AXLCDK2KDM4EALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365685-B2 Substituted fused aromatic ring derivative, composition and use thereof SHENZHEN TARGETRX, INC. (CN) 2025-07-22 US disclosed
EP-3904355-B1 SUBSTITUTED FUSED AROMATIC RING DERIVATIVE, COMPOSITION AND USE THEREOF SHENZHEN TARGETRX INC (CN) 2024-11-20 EP disclosed
US-11746110-B2 Alkynyl (hetero) aromatic ring compounds used for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2023-09-05 US disclosed
US-11746110-B2 Alkynyl (hetero) aromatic ring compounds used for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2023-09-05 US disclosed
US-11746110-B2 Alkynyl (hetero) aromatic ring compounds used for inhibiting protein kinase activity SHENZHEN TARGETRX, INC. (CN) 2023-09-05 US disclosed
EP-3808746-B1 N-[3-[2-[8-[(1H-PYRAZOL-4-YL)AMINO]IMIDAZO[1,2-A]PYRAZIN-3-YL]ETHYNYL]PHENYL]-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SHENZHEN TARGETRX INC (CN) 2023-08-02 EP disclosed
EP-3808746-B1 N-[3-[2-[8-[(1H-PYRAZOL-4-YL)AMINO]IMIDAZO[1,2-A]PYRAZIN-3-YL]ETHYNYL]PHENYL]-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER SHENZHEN TARGETRX INC (CN) 2023-08-02 EP disclosed
CN-110272426-B Alkynyl (hetero) aromatic ring compounds for inhibiting protein kinase activity 深圳市塔吉瑞生物医药有限公司 2022-05-31 CN disclosed
US-20220098204-A1 SUBSTITUTED FUSED AROMATIC RING DERIVATIVE, COMPOSITION AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2022-03-31 US disclosed
EP-3904355-A1 SUBSTITUTED FUSED AROMATIC RING DERIVATIVE, COMPOSITION AND USE THEREOF Shenzhen TargetRx, Inc. (CN) 2021-11-03 EP disclosed
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-09-04 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
WO-2016008433-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-21 WO disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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 (6 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-20220098204-A1 SUBSTITUTED FUSED AROMATIC RING DERIVATIVE, COMPOSITION AND USE THEREOF BRAF, ALK, TYRO3 SMPD3 4035/4885AXL 52/4885CDK2 238/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMPD3 588/4885AXL 1068/4885CDK2 100/4885
US-11746110-B2 Alkynyl (hetero) aromatic ring compounds used for inhibiting protein kinase activity ALK, WEE1, WEE2 SMPD3 3745/4885AXL 715/4885CDK2 99/4885
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF ULK2, ULK3, ULK1 SMPD3 1873/4885AXL 677/4885CDK2 23/4885
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof ULK2, ULK3, ULK1 SMPD3 1873/4885AXL 677/4885CDK2 23/4885
US-12365685-B2 Substituted fused aromatic ring derivative, composition and use thereof BRAF, ALK, TYRO3 SMPD3 4035/4885AXL 52/4885CDK2 238/4885

“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.