SCHEMBL19792402

SCHEMBL19792402

C[C@H]1CCN(C(=O)N2CCCC2)C[C@H]1N(C)c1ncnc2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 1.00
JAK2 O60674 10/20 1.00
JAK1 P23458 10/20 1.00
TYK2 P29597 5/20 1.00
PKN2 Q16513 3/20 0.77
AURKB Q96GD4 2/20 0.77
ROCK2 O75116 2/20 0.72
MARK3 P27448 2/20 0.72
PRKCD Q05655 2/20 0.72
STK3 Q13188 2/20 0.72
ROCK1 Q13464 2/20 0.72
CAMK2D Q13557 2/20 0.72
LRRK2 Q5S007 2/20 0.72
MARK2 Q7KZI7 2/20 0.72
MAP4K3 Q8IVH8 1/20 0.72
MAP4K5 Q9Y4K4 1/20 0.72
DCLK1 O15075 1/20 0.72
ABL1 P00519 1/20 0.72
LCK P06239 1/20 0.72
FYN P06241 1/20 0.72

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
SCHEMBL31060205 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL15496537 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4064645 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4064152 0.99 JAK3 (0.98) JAK3JAK2JAK1TYK2PKN2
Hydrochloric Acid SCHEMBL4069420 0.97 JAK3 (0.94) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4068921 0.96 JAK3 (0.92) JAK3JAK2JAK1TYK2PKN2
Hydrochloric Acid SCHEMBL4064397 0.93 JAK3 (0.87) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4065431 0.93 JAK3 (0.87) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4066420 0.92 JAK3 (0.86) JAK3JAK2JAK1TYK2PKN2
SCHEMBL4068783 0.92 JAK3 (0.85) JAK3JAK2JAK1TYK2PKN2

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-10265258-B2 Methods for treating hair loss disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-23 US disclosed
US-20180021235-A1 METHODS FOR TREATING HAIR LOSS DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-01-25 US disclosed
US-20180021235-A1 METHODS FOR TREATING HAIR LOSS DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-01-25 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 (2 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-10265258-B2 Methods for treating hair loss disorders PRKACB, PRKACA, PRKACG JAK3 47/4885JAK2 40/4885JAK1 63/4885
US-20180021235-A1 METHODS FOR TREATING HAIR LOSS DISORDERS HIPK4, PRKDC, PRKACB JAK3 90/4885JAK2 285/4885JAK1 121/4885

“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.