SCHEMBL9705114

SCHEMBL9705114

Cn1c(-c2ccc(N)cc2)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
KDM4E B2RXH2 9/20 1.00
RAB9A P51151 7/20 1.00
NPC1 O15118 5/20 1.00
PKM P14618 4/20 1.00
TP53 P04637 3/20 1.00
HSD17B10 Q99714 3/20 1.00
GAA P10253 3/20 1.00
ALOX15 P16050 1/20 1.00
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
SMN1; SMN2 Q16637 6/20 0.67
HPGD P15428 5/20 0.67
MAPT P10636 4/20 0.67
LMNA P02545 2/20 0.67
HTT P42858 1/20 0.67
GFER P55789 1/20 0.67
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
RXFP1 Q9HBX9 1/20 0.61

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
SCHEMBL31474745 1.00 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL20982597 0.91 ALDH1A1 (0.83) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL9611665 0.86 ALDH1A1 (0.75) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL2242681 0.86 ALDH1A1 (0.75) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL517706 0.85 MEN1 (0.77) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL12936428 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL338550 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL20982642 0.83 KDM4E (0.71) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL2951391 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ERAB9ANPC1PKM
SCHEMBL13053096 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ERAB9ANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082589-A Preparation method and application of metal nitrogen heterocyclic carbene functionalized covalent organic framework material 中国科学院福建物质结构研究所 2023-05-09 CN disclosed
US-10022357-B2 Amyloid precursor protein MRNA blockers for treating Down syndrome and Alzheimer's disease THE GENERAL HOSPITAL CORPORATION (US) 2018-07-17 US disclosed
US-10022357-B2 Amyloid precursor protein MRNA blockers for treating Down syndrome and Alzheimer's disease THE GENERAL HOSPITAL CORPORATION (US) 2018-07-17 US disclosed
US-20160074367-A1 AMYLOID PRECURSOR PROTEIN MRNA BLOCKERS FOR TREATING DOWN SYDNROME AND ALZHEIMER'S DISEASE THE BROAD INSTITUTE, INC. 2016-03-17 US disclosed
US-20160074367-A1 AMYLOID PRECURSOR PROTEIN MRNA BLOCKERS FOR TREATING DOWN SYDNROME AND ALZHEIMER'S DISEASE THE BROAD INSTITUTE, INC. 2016-03-17 US disclosed
WO-2014179303-A1 AMYLOID PRECURSOR PROTEIN MRNA BLOCKERS FOR TREATING DOWN SYNDROME AND ALZHEIMER'S DISEASE THE GENERAL HOSPITAL CORPORATION (US) 2014-11-06 WO disclosed
EP-2731953-A1 TRICYCLIC INHIBITORS OF KINASES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Abbvie Inc. (US) 2014-05-21 EP disclosed
US-8716297-B2 Chemical entities to be used for Wee1 inhibition for the treatment of cancer ABBVIE INC. (US) 2014-05-06 US disclosed
WO-2013012681-A1 TRICYCLIC INHIBITORS OF KINASES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed
US-20130018045-A1 New Chemical Entities To Be Used For Wee1 Inhibition For The Treatment Of Cancer ABBOTT LABORATORIES (US) 2013-01-17 US disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
EP-0194529-B1 USE OF 2-(AMINOPHENYL)-BENZIMIDAZOLE DERIVATIVES IN THE PREPARATION OF MEDICAMENTS FOR COMBATING MALIGN AND NON-MALIGN PROLIFERATIVE AS WELL AS AUTO-IMMUNE DISEASES AND IN IMMUNOSUPPRESSION IN TRANSPLANTATIONS GÖDECKE AKTIENGESELLSCHAFT (DE) 1992-09-02 EP disclosed
EP-0226016-A1 Process for inhibiting hydrogen-induced corrosion of metallic materials BAYER AG (DE) 1987-06-24 EP disclosed
EP-0194529-A2 Use of 2-(aminophenyl)-benzimidazole derivatives in the preparation of medicaments for combating malign and non-malign proliferative as well as auto-immune diseases and in immunosuppression in transplantations GÖDECKE AKTIENGESELLSCHAFT (DE) 1986-09-17 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 (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-20130018045-A1 New Chemical Entities To Be Used For Wee1 Inhibition For The Treatment Of Cancer WEE1, WEE2, CCNE1 ALDH1A1 1453/4885KDM4E 441/4885RAB9A 2348/4885
US-10022357-B2 Amyloid precursor protein MRNA blockers for treating Down syndrome and Alzheimer's disease APP, UPF1, BACE1 ALDH1A1 3698/4885KDM4E 2655/4885RAB9A 2552/4885
US-20160074367-A1 AMYLOID PRECURSOR PROTEIN MRNA BLOCKERS FOR TREATING DOWN SYDNROME AND ALZHEIMER'S DISEASE APP, UPF1, GAP43 ALDH1A1 3791/4885KDM4E 3396/4885RAB9A 1925/4885

“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.