SCHEMBL16201840

SCHEMBL16201840

CCNC(=O)Nc1cc(Nc2cccc(C)c2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.62
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ MAPK10 P53779 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ JAK1 P23458 1/20 0.62
▸ TYK2 P29597 1/20 0.62
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ TNNI3K Q59H18 1/20 0.52
▸ BRAF P15056 1/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49

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
SCHEMBL20909667 0.83 SMN1; SMN2 (0.68) JAK2JAK1TYK2SMN1; SMN2NPC1
SCHEMBL16201835 0.81 PIK3CA (0.61) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL10172965 0.80 NPC1 (0.68) PIK3CAMAPK8MAPK9MAPK10SMN1; SMN2
Ammonia Solution, Strong SCHEMBL2058716 0.79 NPC1 (0.66) PIK3CAMAPK8MAPK9MAPK10SMN1; SMN2
SCHEMBL15059638 0.79 PIK3CA (0.59) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL15059132 0.78 — —
SCHEMBL5458922 0.77 PIK3CA (1.00) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL26686375 0.76 JAK2 (0.57) PIK3CAMAPK8MAPK9MAPK10JAK2
SCHEMBL15058707 0.76 PIK3CA (0.56) PIK3CAMAPK8MAPK9MAPK10
SCHEMBL15059678 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9060515-B2 Heterocyclic urea compounds BIOTA EUROPE LTD. (GB) 2015-06-23 — — US disclosed
US-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS SPERO GYRASE, INC. 2014-10-30 — — 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 (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-20140323486-A1 HETEROCYCLIC UREA COMPOUNDS UMPS, URB2, UROD PIK3CA 3499/4885MAPK8 3097/4885MAPK9 1969/4885

“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.

Send feedback