SCHEMBL22492820

SCHEMBL22492820

O=C(c1ccncc1)c1cnccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.46
LTA4H P09960 1/20 0.46
NAPRT Q6XQN6 1/20 0.43
TYK2 P29597 3/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
JAK2 O60674 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 2/20 0.40
RAB9A P51151 1/20 0.40
VNN1 O95497 1/20 0.40
CCR9 P51686 1/20 0.39

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
SCHEMBL5700207 0.89 KMT2A (0.55) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL1921967 0.89 ROCK2 (0.50) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL9259850 0.85 JAK2 (0.50) ROCK2ROCK1LTA4HTYK2POLB
SCHEMBL9261793 0.82 KMT2A (0.50) ROCK2ROCK1MEN1KMT2ALMNA
SCHEMBL4859699 0.82 MAPT (0.49) ROCK2ROCK1LMNAPOLBMAPT
SCHEMBL28752271 0.81 KMT2A (0.59) MEN1KMT2ALMNATYK2POLB
SCHEMBL7087043 0.80 ALDH1A1 (0.50) ROCK2ROCK1MEN1KMT2APOLB
SCHEMBL3481832 0.78 JAK2 (0.59) MEN1KMT2ALMNATYK2POLB
SCHEMBL15514423 0.78 ROCK2 (0.58) ROCK2ROCK1MEN1KMT2ATYK2
SCHEMBL29574646 0.78 ROCK2 (0.58) ROCK2ROCK1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
EP-3717450-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION The Regents of the University of California (US) 2020-10-07 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 (1 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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 ROCK2 684/4885ROCK1 565/4885MEN1 4094/4885

“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.