SCHEMBL4305979

SCHEMBL4305979

CCNC(=O)Nc1cc(CCl)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.55
JAK1 P23458 1/20 0.55
TYK2 P29597 1/20 0.55
PKM P14618 1/20 0.47
PIK3CA P42336 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MAPK14 Q16539 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KIT P10721 1/20 0.44
BRAF P15056 1/20 0.44
NR3C2 P08235 1/20 0.44

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
SCHEMBL31032910 1.00 JAK2 (0.55) JAK2JAK1TYK2PKMPIK3CA
SCHEMBL20889616 0.88 PKM (0.59) JAK2JAK1TYK2PKMPIK3CA
SCHEMBL4309467 0.85 GCK (0.52) PKMKMT2AMEN1KITBRAF
SCHEMBL4309482 0.84 L3MBTL1 (0.50) JAK2JAK1TYK2NR3C2
Hydrochloric Acid SCHEMBL17161867 0.83 L3MBTL1 (0.49) JAK2JAK1TYK2NR3C2
SCHEMBL31033000 0.83 MAPK1 (0.46) JAK2JAK1TYK2PKMSMN1; SMN2
SCHEMBL31420515 0.82 JAK2 (0.61) JAK2JAK1TYK2PIK3CAMAPK8
SCHEMBL1505534 0.82 JAK2 (0.61) JAK2JAK1TYK2PIK3CAMAPK8
SCHEMBL31032696 0.82 GPR52 (0.43) JAK2JAK1TYK2PKMMAPK1
SCHEMBL31032950 0.82 LOXL2 (0.47) JAK2JAK1TYK2PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. 2024-10-17 US disclosed
WO-2024178127-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF 1CBIO, INC. (US) 2024-08-29 WO disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 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 (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-20240343710-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PARP1, PARP11, PARP12 JAK2 1970/4885JAK1 3882/4885TYK2 2834/4885
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 JAK2 896/4885JAK1 2385/4885TYK2 2123/4885
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents MCL1, HDAC5, HDAC6 JAK2 315/4885JAK1 1025/4885TYK2 1404/4885

“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.