Dalfampridine

Dalfampridine

SCHEMBL21084451

Nc1ccncc1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

The experimentally established mechanism targets of Dalfampridine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA1 known ✓ Q09470 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP2D6 P10635 2/20 0.56
LMNA P02545 1/20 0.56
CHRM1 P11229 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
SLC22A12 Q96S37 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KDM6B O15054 1/20 0.39
KDM4A O75164 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
Dalfampridine SCHEMBL11585366 0.83 ALDH1A1 (0.56) MEN1KMT2AMAPTALDH1A1CYP2D6
Aniline SCHEMBL3769652 0.79 TSHR (0.55) MAPTCYP2D6TSHRMAPK1SMN1; SMN2
Dalfampridine SCHEMBL22382689 0.79 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1CYP2D6
Trifluoroacetic Acid SCHEMBL6276036 0.79 PLOD2 (0.50) MEN1KMT2AMAPTALDH1A1CYP2D6
Trifluoroacetic Acid SCHEMBL3614047 0.79 PLOD2 (0.50) MEN1KMT2AMAPTALDH1A1CYP2D6
Dalfampridine SCHEMBL27592753 0.79 MAPT (0.72) MEN1KMT2AMAPTALDH1A1CYP2D6
Trifluoroacetic Acid SCHEMBL25246048 0.78 PLOD2 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2PLOD2
Isonicotinic Acid SCHEMBL28101509 0.78 NAPRT (0.74) MEN1KMT2AALDH1A1CYP2D6TSHR
Trifluoroacetic Acid SCHEMBL8138931 0.78 PLOD2 (0.40) MEN1KMT2AALDH1A1TSHRPLOD2
Trifluoroacetic Acid SCHEMBL5532877 0.78 PLOD2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116783199-A Pyrazolo [1,5-A ] pyrazine derivatives as BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-09-19 CN disclosed
CN-111615514-B Substituted pyrazolo [4,3-C ] pyridine compounds as RET kinase inhibitors 奥瑞生物药品公司 2022-10-11 CN disclosed
US-10723724-B2 Compounds for treating degenerative diseases of central nervous system or brain tumor, and uses thereof SUN YAT-SEN UNIVERSITY (CN) 2020-07-28 US disclosed
CN-110372703-A Five-ring heterocycles miazines compound and application thereof 罗欣生物科技(上海)有限公司 2019-10-25 CN disclosed
US-20190202817-A1 COMPOUNDS FOR TREATING DEGENERATIVE DISEASES OF CENTRAL NERVOUS SYSTEM OR BRAIN TUMOR, AND USES THEREOF SUN YAT-SEN UNIVERSITY (CN) 2019-07-04 US disclosed
CN-106279136-B Compound and its application for treating central nervous system degenerative disease or brain tumor 中山大学 2019-06-21 CN disclosed
CN-107849010-A 3, 3-difluoropiperidine carbamate heterocycles as NR2B NMDA receptor antagonists 卢郡控股(开曼)有限公司 2018-03-27 CN disclosed
CN-106279136-A Treat central nervous system degenerative disease or the compound of the cerebral tumor and application thereof 中山大学 2017-01-04 CN disclosed
CN-1751042-B Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD 2011-02-23 CN disclosed
CN-1856304-A Heteroaromatic ureas that modulate the function of the capsaicin-1 receptor (VR1) MERCK SHARP & DOHME (GB) 2006-11-01 CN disclosed
CN-1751042-A Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2006-03-22 CN 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-20190202817-A1 COMPOUNDS FOR TREATING DEGENERATIVE DISEASES OF CENTRAL NERVOUS SYSTEM OR BRAIN TUMOR, AND USES THEREOF SGK1, SGK3, SGK2 KCNA1 4373/4885MEN1 1436/4885KMT2A 2978/4885
US-10723724-B2 Compounds for treating degenerative diseases of central nervous system or brain tumor, and uses thereof SGK1, SGK3, SGK2 KCNA1 4373/4885MEN1 1436/4885KMT2A 2978/4885

“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.