SCHEMBL624345

SCHEMBL624345

Nc1[c]ccc2cccc(N)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
RPS6KA3 P51812 1/20 0.41
MELK Q14680 1/20 0.41
STK24 Q9Y6E0 1/20 0.41
ALDH1A1 P00352 8/20 0.38
CYP3A4 P08684 6/20 0.38
HSD17B10 Q99714 6/20 0.38
TSHR P16473 5/20 0.38
HPGD P15428 5/20 0.38
KEAP1 Q14145 1/20 0.38
CYP1A2 P05177 3/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
TYMS P04818 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
PIK3CA P42336 1/20 0.32
ALOX15 P16050 2/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8019186 0.79 JAK2 (0.39) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL65699 0.75 JAK2 (0.54) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL29349435 0.75 JAK2 (0.54) JAK2RPS6KA3MELKSTK24ALDH1A1
Ammonia Solution, Strong SCHEMBL2638226 0.73 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
Hydrochloric Acid SCHEMBL11698588 0.73 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL28313238 0.73 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
Hydrochloric Acid SCHEMBL11277860 0.73 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
Fluoride SCHEMBL11274176 0.73 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL14742902 0.73 ALDH1A1 (0.59) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL9627127 0.73 JAK2 (0.52) JAK2RPS6KA3MELKSTK24ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
US-20240083904-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2024-03-14 US disclosed
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
EP-4146654-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR Adorx therapeutics Limited (GB) 2023-03-15 EP disclosed
WO-2021224636-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR AdoRx Therapeutics Limited (GB) 2021-11-11 WO disclosed
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE NANTBIO, INC. (US) 2020-05-28 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
US-8575154-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-25 US disclosed
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 US disclosed
EP-2603513-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-8138130-B2 Fused-ring aromatic amine based wear and oxidation inhibitors for lubricants CHEVRON ORONITE COMPANY LLC (US) 2012-03-20 US disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 WO disclosed
EP-1707616-B1 Fused-ring aromatic amine based wear and oxidation inhibitors for lubricants CHEVRON ORONITE CO (US) 2011-06-22 EP disclosed
US-20060223717-A1 Fused-ring aromatic amine based wear and oxidation inhibitors for lubricants CHEVRON ORONITE COMPANY LLC 2006-10-05 US disclosed
EP-1707616-A2 Fused-ring aromatic amine based wear and oxidation inhibitors for lubricants Chevron Oronite Company LLC (US) 2006-10-04 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 (9 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-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A JAK2 602/4885RPS6KA3 4025/4885MELK 1370/4885
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A JAK2 602/4885RPS6KA3 4025/4885MELK 1370/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A JAK2 602/4885RPS6KA3 4025/4885MELK 1370/4885
US-20240083904-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 JAK2 1149/4885RPS6KA3 971/4885MELK 3017/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A JAK2 602/4885RPS6KA3 4025/4885MELK 1370/4885
US-20200165225-A1 BACE1 INHIBITORS FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN2 JAK2 4857/4885RPS6KA3 2870/4885MELK 2582/4885
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A JAK2 602/4885RPS6KA3 4025/4885MELK 1370/4885
US-20230203041-A1 ANTAGONISTS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 JAK2 1149/4885RPS6KA3 971/4885MELK 3017/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A JAK2 602/4885RPS6KA3 4025/4885MELK 1370/4885

“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.